CAS RN: 5826-28-8
CAS Name: (E)-3-[3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-[(2,5-dimethylfuran-3-yl)carbonylamino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CC1=CC(=C(O1)C)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O
Structure:
CAS RN: 4216-52-8
CAS Name: 4-phenyl-N-[(phenylmethylene)amino]-2-thiazolamine
OPENEYE Name: N-(benzylideneamino)-4-phenyl-thiazol-2-amine
IUPAC Name: N-(benzylideneamino)-4-phenyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-phenyl-N-[(phenylmethylidene)amino]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C16H13N3S
MOLECULAR WEIGHT: 279.35952
SMILES: C1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=CC=CC=C3
Structure:
CAS RN: 10153-16-9
CAS Name: [[anilino(sulfanylidene)methyl]amino]urea
OPENEYE Name: (phenylcarbamothioylamino)urea
IUPAC Name: (phenylcarbamothioylamino)urea
SYSTEMATIC NAME: 1-(phenylcarbamothioylamino)urea
MOLECULAR FORMULA: C8H10N4OS
MOLECULAR WEIGHT: 210.2562
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)N
Structure:
CAS RN: 6146-89-0
CAS Name: 3-[(3-methylphenyl)methoxy]-6-benzo[c][1]benzopyranone
OPENEYE Name: 3-(m-tolylmethoxy)benzo[c]chromen-6-one
IUPAC Name: 3-[(3-methylphenyl)methoxy]benzo[c]chromen-6-one
SYSTEMATIC NAME: 3-[(3-methylphenyl)methoxy]benzo[c]chromen-6-one
MOLECULAR FORMULA: C21H16O3
MOLECULAR WEIGHT: 316.34994
SMILES: CC1=CC(=CC=C1)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3
Structure:
CAS RN: 19731-02-3
CAS Name: 2-(1H-benzimidazol-2-yl)acetohydrazide
OPENEYE Name: 2-(1H-benzimidazol-2-yl)acetohydrazide
IUPAC Name: 2-(1H-benzimidazol-2-yl)acetohydrazide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)ethanehydrazide
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: C1=CC=C2C(=C1)NC(=N2)CC(=O)NN
Structure:
CAS RN: 5359-02-4
CAS Name: (E)-N,3-bis(1,3-benzodioxol-5-yl)-2-propenamide
OPENEYE Name: (E)-N,3-bis(1,3-benzodioxol-5-yl)prop-2-enamide
IUPAC Name: (E)-N,3-bis(1,3-benzodioxol-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N,3-bis(1,3-benzodioxol-5-yl)prop-2-enamide
MOLECULAR FORMULA: C17H13NO5
MOLECULAR WEIGHT: 311.28882
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 51921-67-6
CAS Name: N-[(Z)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
OPENEYE Name: N-[(Z)-1-(cyclohexylcarbamoyl)-2-phenyl-vinyl]benzamide
IUPAC Name: N-[(Z)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SYSTEMATIC NAME: N-[(Z)-3-(cyclohexylamino)-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]benzamide
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: C1CCC(CC1)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 6148-70-5
CAS Name: 1-[(4-fluorophenyl)methoxy]-3-methyl-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
OPENEYE Name: 1-[(4-fluorophenyl)methoxy]-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
IUPAC Name: 1-[(4-fluorophenyl)methoxy]-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methoxy]-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
MOLECULAR FORMULA: C21H19FO3
MOLECULAR WEIGHT: 338.372163
SMILES: CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=CC=C(C=C4)F
Structure:
CAS RN: 5629-98-1
CAS Name: N-[4-(dimethylamino)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
OPENEYE Name: N-[4-(dimethylamino)phenyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide
IUPAC Name: N-[4-(dimethylamino)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SYSTEMATIC NAME: N-[4-(dimethylamino)phenyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 123769-43-7
CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(2-naphthalenyl)methanone
OPENEYE Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(2-naphthyl)methanone
IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(naphthalen-2-yl)methanone
SYSTEMATIC NAME: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(naphthalen-2-yl)methanone
MOLECULAR FORMULA: C20H16O3
MOLECULAR WEIGHT: 304.33924
SMILES: C1COC2=C(C=C(C=C2)C(=O)C3=CC4=CC=CC=C4C=C3)OC1
Structure:
CAS RN: 5780-97-2
CAS Name: 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)-2-propenamide
OPENEYE Name: 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide
IUPAC Name: 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: 3-(4-tert-butylphenyl)-N-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C19H20FNO
MOLECULAR WEIGHT: 297.366603
SMILES: CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)F
Structure:
CAS RN: 5620-26-8
CAS Name: 4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide
OPENEYE Name: 4-methyl-N-(4-morpholinophenyl)benzamide
IUPAC Name: 4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SYSTEMATIC NAME: 4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3
Structure:
CAS RN: 51641-29-3
CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-phenylthiourea
OPENEYE Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-thiourea
IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-phenyl-thiourea
MOLECULAR FORMULA: C18H18N4OS
MOLECULAR WEIGHT: 338.42672
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3
Structure:
CAS RN: 5703-74-2
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)OC
Structure:
CAS RN: 5415-56-5
CAS Name: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: (4Z)-4-[(3,4-dimethoxyphenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: COC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)OC
Structure:
CAS RN: 5925-08-6
CAS Name: 2-amino-6-tert-butyl-4-(4-methylphenyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-6-tert-butyl-4-(p-tolyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H19N3
MOLECULAR WEIGHT: 265.35286
SMILES: CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C(C)(C)C
Structure:
CAS RN: 116476-70-1
CAS Name: N,N'-bis(3-methylphenyl)propanediamide
OPENEYE Name: N,N'-bis(m-tolyl)propanediamide
IUPAC Name: N,N'-bis(3-methylphenyl)propanediamide
SYSTEMATIC NAME: N,N'-bis(3-methylphenyl)propanediamide
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC1=CC(=CC=C1)NC(=O)CC(=O)NC2=CC=CC(=C2)C
Structure:
CAS RN: 2740-93-4
CAS Name: 1-methyl-3-(4-methylphenyl)thiourea
OPENEYE Name: 1-methyl-3-(p-tolyl)thiourea
IUPAC Name: 1-methyl-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-methyl-3-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=CC=C(C=C1)NC(=S)NC
Structure:
CAS RN: 5754-30-3
CAS Name: 3-(3-chloroanilino)-2-indolone
OPENEYE Name: 3-(3-chloroanilino)indol-2-one
IUPAC Name: 3-(3-chloroanilino)indol-2-one
SYSTEMATIC NAME: 3-[(3-chlorophenyl)amino]indol-2-one
MOLECULAR FORMULA: C14H9ClN2O
MOLECULAR WEIGHT: 256.68706
SMILES: C1=CC2=C(C(=O)N=C2C=C1)NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 56613-61-7
CAS Name: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(4-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-]
Structure:
CAS RN: 17722-12-2
CAS Name: N-(3-chlorophenyl)-2-cyanoacetamide
OPENEYE Name: N-(3-chlorophenyl)-2-cyano-acetamide
IUPAC Name: N-(3-chlorophenyl)-2-cyanoacetamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-cyano-ethanamide
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)CC#N
Structure:
CAS RN: 63624-27-1
CAS Name: 3,4-dimethoxybenzenesulfonamide
OPENEYE Name: 3,4-dimethoxybenzenesulfonamide
IUPAC Name: 3,4-dimethoxybenzenesulfonamide
SYSTEMATIC NAME: 3,4-dimethoxybenzenesulfonamide
MOLECULAR FORMULA: C8H11NO4S
MOLECULAR WEIGHT: 217.24224
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)OC
Structure:
CAS RN: 20034-02-0
CAS Name: (6-methyl-1H-benzimidazol-2-yl)methanol
OPENEYE Name: (6-methyl-1H-benzimidazol-2-yl)methanol
IUPAC Name: (6-methyl-1H-benzimidazol-2-yl)methanol
SYSTEMATIC NAME: (6-methyl-1H-benzimidazol-2-yl)methanol
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CC1=CC2=C(C=C1)N=C(N2)CO
Structure:
CAS RN: 17675-42-2
CAS Name: 4-amino-N-cyclohexylbenzamide
OPENEYE Name: 4-amino-N-cyclohexyl-benzamide
IUPAC Name: 4-amino-N-cyclohexylbenzamide
SYSTEMATIC NAME: 4-azanyl-N-cyclohexyl-benzamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 2349-58-8
CAS Name: 4,5-diphenyl-1,3-dihydroimidazole-2-thione
OPENEYE Name: 4,5-diphenyl-1,3-dihydroimidazole-2-thione
IUPAC Name: 4,5-diphenyl-1,3-dihydroimidazole-2-thione
SYSTEMATIC NAME: 4,5-diphenyl-1,3-dihydroimidazole-2-thione
MOLECULAR FORMULA: C15H12N2S
MOLECULAR WEIGHT: 252.33418
SMILES: C1=CC=C(C=C1)C2=C(NC(=S)N2)C3=CC=CC=C3
Structure:
CAS RN: 42056-77-9
CAS Name: 4-(4-bromophenyl)-N-phenyl-2-thiazolamine
OPENEYE Name: 4-(4-bromophenyl)-N-phenyl-thiazol-2-amine
IUPAC Name: 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C15H11BrN2S
MOLECULAR WEIGHT: 331.23024
SMILES: C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Br
Structure:
CAS RN: 5654-39-7
CAS Name: (Z)-2-cyano-3-(5-ethyl-2-thiophenyl)-2-propenamide
OPENEYE Name: (Z)-2-cyano-3-(5-ethyl-2-thienyl)prop-2-enamide
IUPAC Name: (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CCC1=CC=C(S1)/C=C(/C#N)\C(=O)N
Structure:
CAS RN: 68029-46-9
CAS Name: (E)-2-cyano-3-thiophen-2-yl-2-propenethioamide
OPENEYE Name: (E)-2-cyano-3-(2-thienyl)prop-2-enethioamide
IUPAC Name: (E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
SYSTEMATIC NAME: (E)-2-cyano-3-thiophen-2-yl-prop-2-enethioamide
MOLECULAR FORMULA: C8H6N2S2
MOLECULAR WEIGHT: 194.27664
SMILES: C1=CSC(=C1)/C=C(\C#N)/C(=S)N
Structure:
CAS RN: 33955-17-8
CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid
OPENEYE Name: 2-(thiophene-2-carbonylamino)acetic acid
IUPAC Name: 2-(thiophene-2-carbonylamino)acetic acid
SYSTEMATIC NAME: 2-(thiophen-2-ylcarbonylamino)ethanoic acid
MOLECULAR FORMULA: C7H7NO3S
MOLECULAR WEIGHT: 185.20038
SMILES: C1=CSC(=C1)C(=O)NCC(=O)O
Structure:
CAS RN: 52687-97-5
CAS Name: 2-chloro-N-(2-pyrimidinyl)acetamide
OPENEYE Name: 2-chloro-N-pyrimidin-2-yl-acetamide
IUPAC Name: 2-chloro-N-pyrimidin-2-ylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-pyrimidin-2-yl-ethanamide
MOLECULAR FORMULA: C6H6ClN3O
MOLECULAR WEIGHT: 171.58434
SMILES: C1=CN=C(N=C1)NC(=O)CCl
Structure:
CAS RN: 4637-04-1
CAS Name: 5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine
OPENEYE Name: 5-(phenylhydrazono)-1,2,4-dithiazol-3-amine
IUPAC Name: 5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine
SYSTEMATIC NAME: 5-(phenylhydrazinylidene)-1,2,4-dithiazol-3-amine
MOLECULAR FORMULA: C8H8N4S2
MOLECULAR WEIGHT: 224.30592
SMILES: C1=CC=C(C=C1)NN=C2N=C(SS2)N
Structure:
CAS RN: 5780-59-6
CAS Name: 4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-2-thiazolamine
OPENEYE Name: 4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyleneamino]thiazol-2-amine
IUPAC Name: 4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C17H14FN3OS
MOLECULAR WEIGHT: 327.375963
SMILES: COC1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)F
Structure:
CAS RN: 5269-47-6
CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-piperidinol
OPENEYE Name: 1-[(4-ethoxyphenyl)methyl]piperidin-4-ol
IUPAC Name: 1-[(4-ethoxyphenyl)methyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[(4-ethoxyphenyl)methyl]piperidin-4-ol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCOC1=CC=C(C=C1)CN2CCC(CC2)O
Structure:
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