2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-dimethylaminophenyl)methyl]-1-piperazinecarboxylic acid 2-[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethylthio]ethyl ester IUPAC Name: 2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[4-(dimethylamino)benzyl]piperazine-1-carboxylic acid 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylthio]ethyl ester Formula: C27H33ClN4O3S2 MolecularWeight: 561.15892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C27H33ClN4O3S2/c1-30(2)21-9-7-20(8-10-21)19-31-12-14-32(15-13-31)27(34)35-16-18-36-17-11-29-26(33)25-24(28)22-5-3-4-6-23(22)37-25/h3-10H,11-19H2,1-2H3,(H,29,33)