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

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethylsulfanyl]ethyl 4-(4-methylphenyl)piperazine-1-carboxylate Openeye Name: 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylsulfanyl]ethyl 4-(p-tolyl)piperazine-1-carboxylate CAS Name: 4-(4-methylphenyl)-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-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(p-tolyl)piperazine-1-carboxylic acid 2-[2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethylthio]ethyl ester Formula: C25H28ClN3O3S2 MolecularWeight: 518.09112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCSCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H28ClN3O3S2/c1-18-6-8-19(9-7-18)28-11-13-29(14-12-28)25(31)32-15-17-33-16-10-27-24(30)23-22(26)20-4-2-3-5-21(20)34-23/h2-9H,10-17H2,1H3,(H,27,30)