CAS RN: 6889-08-3
CAS Name: [2-[(4-bromophenyl)methoxy]phenyl]methylidene-[[ethylamino(sulfanylidene)methyl]amino]ammonium
OPENEYE Name: [2-[(4-bromophenyl)methoxy]phenyl]methylene-(ethylcarbamothioylamino)ammonium
IUPAC Name: [2-[(4-bromophenyl)methoxy]phenyl]methylidene-(ethylcarbamothioylamino)azanium
SYSTEMATIC NAME: [2-[(4-bromophenyl)methoxy]phenyl]methylidene-(ethylcarbamothioylamino)azanium
MOLECULAR FORMULA: C17H19BrN3OS+
MOLECULAR WEIGHT: 393.32126
SMILES: CCNC(=S)N[NH+]=CC1=CC=CC=C1OCC2=CC=C(C=C2)Br
Structure:
CAS RN: 6610-15-7
CAS Name: 2-ethyl-4-[(3-methoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
OPENEYE Name: 2-ethyl-4-[(3-methoxyphenyl)methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
IUPAC Name: 2-ethyl-4-[(3-methoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SYSTEMATIC NAME: 2-ethyl-4-[(3-methoxyphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
MOLECULAR FORMULA: C23H22N2O3
MOLECULAR WEIGHT: 374.43238
SMILES: CCN1CC(=CC2=CC(=CC=C2)OC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
Structure:
CAS RN: 6608-93-1
CAS Name: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole
OPENEYE Name: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
IUPAC Name: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
SYSTEMATIC NAME: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
MOLECULAR FORMULA: C23H16ClFN4O4S
MOLECULAR WEIGHT: 498.913943
SMILES: C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4F)C5=CC=CC=C5Cl)[N+](=O)[O-]
Structure:
CAS RN: 6606-47-9
CAS Name: 2-(dimethylaminomethylidene)-7-[4-(4-methylphenyl)-2-thiazolyl]-5-[(4-nitrophenyl)-oxomethyl]-3-pyrrolo[2,1-b]thiazolone
OPENEYE Name: 2-(dimethylaminomethylene)-5-(4-nitrobenzoyl)-7-[4-(p-tolyl)thiazol-2-yl]pyrrolo[2,1-b]thiazol-3-one
IUPAC Name: 2-(dimethylaminomethylidene)-7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrobenzoyl)pyrrolo[2,1-b][1,3]thiazol-3-one
SYSTEMATIC NAME: 2-(dimethylaminomethylidene)-7-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)carbonyl-pyrrolo[2,1-b][1,3]thiazol-3-one
MOLECULAR FORMULA: C26H20N4O4S2
MOLECULAR WEIGHT: 516.5914
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)C3=C4N(C(=C3)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C(=CN(C)C)S4
Structure:
CAS RN: 6035-34-3
CAS Name: [2-(2,3-dimethoxyphenyl)-3-thiazolidinyl]-(2-fluorophenyl)methanone
OPENEYE Name: [2-(2,3-dimethoxyphenyl)thiazolidin-3-yl]-(2-fluorophenyl)methanone
IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
SYSTEMATIC NAME: [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
MOLECULAR FORMULA: C18H18FNO3S
MOLECULAR WEIGHT: 347.403823
SMILES: COC1=CC=CC(=C1OC)C2N(CCS2)C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 6074-23-3
CAS Name: 6-(4-hydroxy-3-methylphenyl)-6a-methyl-8-phenyl-2-(phenylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 2-benzyl-6-(4-hydroxy-3-methyl-phenyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-benzyl-6-(4-hydroxy-3-methylphenyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-methyl-6-(3-methyl-4-oxidanyl-phenyl)-8-phenyl-2-(phenylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C35H32N2O5
MOLECULAR WEIGHT: 560.63898
SMILES: CC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)CC7=CC=CC=C7)O
Structure:
CAS RN: 5386-27-6
CAS Name: 4,5-dimethyl-2-[[2-(2-naphthalenylsulfonyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5-dimethyl-2-[[2-(2-naphthylsulfonyl)acetyl]amino]thiophene-3-carboxylate
IUPAC Name: ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylsulfonylacetyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-(2-naphthalen-2-ylsulfonylethanoylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C21H21NO5S2
MOLECULAR WEIGHT: 431.52514
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 6710-89-0
CAS Name: 2-[2-[[2,5-di(propan-2-yl)phenyl]thio]ethyl]pyridin-1-ium
OPENEYE Name: 2-[2-(2,5-diisopropylphenyl)sulfanylethyl]pyridin-1-ium
IUPAC Name: 2-[2-[2,5-di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-ium
SYSTEMATIC NAME: 2-[2-[2,5-di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-ium
MOLECULAR FORMULA: C19H26NS+
MOLECULAR WEIGHT: 300.48144
SMILES: CC(C)C1=CC(=C(C=C1)C(C)C)SCCC2=CC=CC=[NH+]2
Structure:
CAS RN: 4861-80-7
CAS Name: 4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[hydroxy-[4-(m-tolylmethoxy)phenyl]methylene]-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(3-methoxypropyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C29H28N2O7
MOLECULAR WEIGHT: 516.54182
SMILES: CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC(=CC=C4)[N+](=O)[O-])O
Structure:
CAS RN: 6766-45-6
CAS Name: 3-butyl-2-[(2-methylphenyl)methylthio]-4-thieno[3,2-d]pyrimidinone
OPENEYE Name: 3-butyl-2-(o-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
IUPAC Name: 3-butyl-2-[(2-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-butyl-2-[(2-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C18H20N2OS2
MOLECULAR WEIGHT: 344.4942
SMILES: CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3C
Structure:
CAS RN: 5506-61-6
CAS Name: 2-benzamidoacetic acid [1-(4-acetylanilino)-1-oxobutan-2-yl] ester
OPENEYE Name: 1-[(4-acetylphenyl)carbamoyl]propyl 2-benzamidoacetate
IUPAC Name: [1-(4-acetylanilino)-1-oxobutan-2-yl] 2-benzamidoacetate
SYSTEMATIC NAME: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamidoethanoate
MOLECULAR FORMULA: C21H22N2O5
MOLECULAR WEIGHT: 382.40978
SMILES: CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 4892-92-6
CAS Name: 5-(3-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
OPENEYE Name: 5-(3-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC Name: 5-(3-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: 5-(3-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C23H16ClFN2O3
MOLECULAR WEIGHT: 422.836143
SMILES: C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F
Structure:
CAS RN: 5202-41-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C58H82N2O7
MOLECULAR WEIGHT: 919.28088
SMILES: CCCCCCCCCCCC(=O)N(CCC)C1CC(=NOC(C)(C)C)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO
Structure:
CAS RN: 6806-80-0
CAS Name: 1-[(6-hydroxy-4-spiro[1-benzopyran-2,1'-cyclohexane]yl)amino]-3-(3-methylphenyl)thiourea
OPENEYE Name: 1-[(6-hydroxyspiro[chromene-2,1'-cyclohexane]-4-yl)amino]-3-(m-tolyl)thiourea
IUPAC Name: 1-[(6-hydroxyspiro[chromene-2,1'-cyclohexane]-4-yl)amino]-3-(3-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(3-methylphenyl)-3-[(6-oxidanylspiro[chromene-2,1'-cyclohexane]-4-yl)amino]thiourea
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CC1=CC(=CC=C1)NC(=S)NNC2=CC3(CCCCC3)OC4=C2C=C(C=C4)O
Structure:
CAS RN: 6806-79-7
CAS Name: 1-[(6-hydroxy-4-spiro[1-benzopyran-2,1'-cyclohexane]yl)amino]-3-(2-methylphenyl)thiourea
OPENEYE Name: 1-[(6-hydroxyspiro[chromene-2,1'-cyclohexane]-4-yl)amino]-3-(o-tolyl)thiourea
IUPAC Name: 1-[(6-hydroxyspiro[chromene-2,1'-cyclohexane]-4-yl)amino]-3-(2-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-[(6-oxidanylspiro[chromene-2,1'-cyclohexane]-4-yl)amino]thiourea
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CC1=CC=CC=C1NC(=S)NNC2=CC3(CCCCC3)OC4=C2C=C(C=C4)O
Structure:
CAS RN: 6873-58-1
CAS Name: 2-[[3-(2,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C21H23NO5S
MOLECULAR WEIGHT: 401.47602
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=C(C=C(C=C3)OC)OC
Structure:
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