CAS RN: 16662-19-4
CAS Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-propanamine hydrochloride
OPENEYE Name: N-(benzothiophen-3-ylmethyl)-N-(2-chloroethyl)propan-2-amine hydrochloride
IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C14H19Cl2NS
MOLECULAR WEIGHT: 304.27836
SMILES: CC(C)N(CCCl)CC1=CSC2=CC=CC=C21.Cl
Structure:
CAS RN: 16659-14-6
CAS Name: N,N'-bis[3-(trifluoromethyl)phenyl]methanimidamide
OPENEYE Name: N,N'-bis[3-(trifluoromethyl)phenyl]formamidine
IUPAC Name: N,N'-bis[3-(trifluoromethyl)phenyl]methanimidamide
SYSTEMATIC NAME: N,N'-bis[3-(trifluoromethyl)phenyl]methanimidamide
MOLECULAR FORMULA: C15H10F6N2
MOLECULAR WEIGHT: 332.243719
SMILES: C1=CC(=CC(=C1)NC=NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 16657-70-8
CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 4-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]but-2-ynyl ester
OPENEYE Name: 4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxybut-2-ynyl 2-(4-chlorophenoxy)-2-methyl-propanoate
IUPAC Name: 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybut-2-ynyl 2-(4-chlorophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: 4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxybut-2-ynyl 2-(4-chloranylphenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C24H24Cl2O6
MOLECULAR WEIGHT: 479.34976
SMILES: CC(C)(C(=O)OCC#CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 16638-85-0
CAS Name: (5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
OPENEYE Name: (5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
IUPAC Name: (5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
SYSTEMATIC NAME: (5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C[C@@H]1[C@@H](OC(=O)NN1C)C2=CC=CC=C2
Structure:
CAS RN: 16627-04-6
CAS Name: thiohypochlorous acid [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] ester
OPENEYE Name: [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite
IUPAC Name: [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite
SYSTEMATIC NAME: [4-[1,2,2,2-tetrakis(chloranyl)ethylsulfonyl]phenyl] thiohypochlorite
MOLECULAR FORMULA: C8H5Cl5O2S2
MOLECULAR WEIGHT: 374.5191
SMILES: C1=CC(=CC=C1SCl)S(=O)(=O)C(C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 16627-02-4
CAS Name: 5-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
OPENEYE Name: 5-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
IUPAC Name: 5-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
SYSTEMATIC NAME: 5-[1,2,2-tris(chloranyl)ethylsulfonyl]-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
MOLECULAR FORMULA: C8H5Cl3O2S2
MOLECULAR WEIGHT: 303.6131
SMILES: C1=CC2=C(S2)C(=C1)S(=O)(=O)C(C(Cl)Cl)Cl
Structure:
CAS RN: 16626-99-6
CAS Name: 1,1,2-trichloro-2-(methylsulfonylthio)ethene
OPENEYE Name: 1,1,2-trichloro-2-methylsulfonylsulfanyl-ethylene
IUPAC Name: 1,1,2-trichloro-2-methylsulfonylsulfanylethene
SYSTEMATIC NAME: 1,1,2-tris(chloranyl)-2-methylsulfonylsulfanyl-ethene
MOLECULAR FORMULA: C3H3Cl3O2S2
MOLECULAR WEIGHT: 241.54372
SMILES: CS(=O)(=O)SC(=C(Cl)Cl)Cl
Structure:
CAS RN: 16609-79-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H39NO5
MOLECULAR WEIGHT: 481.62366
SMILES: CC(C)CC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC(=O)C)O4)C)OC)O
Structure:
CAS RN: 16584-18-2
CAS Name: N-(2-chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-[(5-fluorobenzothiophen-3-yl)methyl]propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C14H18Cl2FNS
MOLECULAR WEIGHT: 322.268823
SMILES: CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)F.Cl
Structure:
CAS RN: 16584-16-0
CAS Name: 2-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-benzyl-2-chloro-N-[(5-chlorobenzothiophen-3-yl)methyl]ethanamine hydrochloride
IUPAC Name: N-benzyl-2-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C18H18Cl3NS
MOLECULAR WEIGHT: 386.76622
SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)Cl.Cl
Structure:
CAS RN: 16584-15-9
CAS Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol hydrochloride
OPENEYE Name: 2-[(5-bromobenzothiophen-3-yl)methyl-tert-butyl-amino]ethanol hydrochloride
IUPAC Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-bromanyl-1-benzothiophen-3-yl)methyl-tert-butyl-amino]ethanol hydrochloride
MOLECULAR FORMULA: C15H21BrClNOS
MOLECULAR WEIGHT: 378.75534
SMILES: CC(C)(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Br.Cl
Structure:
CAS RN: 16584-14-8
CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl-propan-2-ylamino]ethanol hydrochloride
OPENEYE Name: 2-[(5-chlorobenzothiophen-3-yl)methyl-isopropyl-amino]ethanol hydrochloride
IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl-propan-2-ylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-chloranyl-1-benzothiophen-3-yl)methyl-propan-2-yl-amino]ethanol hydrochloride
MOLECULAR FORMULA: C14H19Cl2NOS
MOLECULAR WEIGHT: 320.27776
SMILES: CC(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Cl.Cl
Structure:
CAS RN: 16584-13-7
CAS Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-(phenylmethyl)amino]ethanol hydrochloride
OPENEYE Name: 2-[benzyl-[(5-bromobenzothiophen-3-yl)methyl]amino]ethanol hydrochloride
IUPAC Name: 2-[benzyl-[(5-bromo-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-bromanyl-1-benzothiophen-3-yl)methyl-(phenylmethyl)amino]ethanol hydrochloride
MOLECULAR FORMULA: C18H19BrClNOS
MOLECULAR WEIGHT: 412.77156
SMILES: C1=CC=C(C=C1)CN(CCO)CC2=CSC3=C2C=C(C=C3)Br.Cl
Structure:
CAS RN: 16584-12-6
CAS Name: 2-[ethyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride
OPENEYE Name: 2-[ethyl-[(5-fluorobenzothiophen-3-yl)methyl]amino]ethanol hydrochloride
IUPAC Name: 2-[ethyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[ethyl-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H17ClFNOS
MOLECULAR WEIGHT: 289.796583
SMILES: CCN(CCO)CC1=CSC2=C1C=C(C=C2)F.Cl
Structure:
CAS RN: 16584-11-5
CAS Name: N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloro-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-benzyl-N-[(5-bromobenzothiophen-3-yl)methyl]-2-chloro-ethanamine hydrochloride
IUPAC Name: N-benzyl-N-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-chloroethanamine hydrochloride
SYSTEMATIC NAME: N-[(5-bromanyl-1-benzothiophen-3-yl)methyl]-2-chloranyl-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C18H18BrCl2NS
MOLECULAR WEIGHT: 431.21722
SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)Br.Cl
Structure:
CAS RN: 16584-10-4
CAS Name: N-[(7-bromo-1-benzothiophen-3-yl)methyl]-2-chloro-N-ethylethanamine hydrochloride
OPENEYE Name: N-[(7-bromobenzothiophen-3-yl)methyl]-2-chloro-N-ethyl-ethanamine hydrochloride
IUPAC Name: N-[(7-bromo-1-benzothiophen-3-yl)methyl]-2-chloro-N-ethylethanamine hydrochloride
SYSTEMATIC NAME: N-[(7-bromanyl-1-benzothiophen-3-yl)methyl]-2-chloranyl-N-ethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C13H16BrCl2NS
MOLECULAR WEIGHT: 369.14784
SMILES: CCN(CCCl)CC1=CSC2=C1C=CC=C2Br.Cl
Structure:
CAS RN: 16584-09-1
CAS Name: 2-chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-chloro-N-ethyl-N-[(5-fluorobenzothiophen-3-yl)methyl]ethanamine hydrochloride
IUPAC Name: 2-chloro-N-ethyl-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-ethyl-N-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C13H16Cl2FNS
MOLECULAR WEIGHT: 308.242243
SMILES: CCN(CCCl)CC1=CSC2=C1C=C(C=C2)F.Cl
Structure:
CAS RN: 16584-08-0
CAS Name: N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-propanamine hydrochloride
OPENEYE Name: N-[(5-bromobenzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine hydrochloride
IUPAC Name: N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(5-bromanyl-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C14H18BrCl2NS
MOLECULAR WEIGHT: 383.17442
SMILES: CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Br.Cl
Structure:
CAS RN: 16584-07-9
CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl-(phenylmethyl)amino]ethanol hydrochloride
OPENEYE Name: 2-[benzyl-[(5-chlorobenzothiophen-3-yl)methyl]amino]ethanol hydrochloride
IUPAC Name: 2-[benzyl-[(5-chloro-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-chloranyl-1-benzothiophen-3-yl)methyl-(phenylmethyl)amino]ethanol hydrochloride
MOLECULAR FORMULA: C18H19Cl2NOS
MOLECULAR WEIGHT: 368.32056
SMILES: C1=CC=C(C=C1)CN(CCO)CC2=CSC3=C2C=C(C=C3)Cl.Cl
Structure:
CAS RN: 16578-11-3
CAS Name: 1-methyl-3-[[6-[(methylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
OPENEYE Name: 1-methyl-3-[[6-[(methylcarbamoylamino)methyl]-2-pyridyl]methyl]urea
IUPAC Name: 1-methyl-3-[[6-[(methylcarbamoylamino)methyl]pyridin-2-yl]methyl]urea
SYSTEMATIC NAME: 1-methyl-3-[[6-[(methylcarbamoylamino)methyl]pyridin-2-yl]methyl]urea
MOLECULAR FORMULA: C11H17N5O2
MOLECULAR WEIGHT: 251.28498
SMILES: CNC(=O)NCC1=NC(=CC=C1)CNC(=O)NC
Structure:
CAS RN: 16574-34-8
CAS Name: 1-(2-naphthalenylmethyl)piperidine
OPENEYE Name: 1-(2-naphthylmethyl)piperidine
IUPAC Name: 1-(naphthalen-2-ylmethyl)piperidine
SYSTEMATIC NAME: 1-(naphthalen-2-ylmethyl)piperidine
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: C1CCN(CC1)CC2=CC3=CC=CC=C3C=C2
Structure:
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