2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-(4-m-anisoylpiperazino)phenyl]acetamide Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O3S/c1-33-23-4-2-3-19(17-23)26(32)30-15-13-29(14-16-30)22-9-7-21(8-10-22)28-25(31)18-34-24-11-5-20(27)6-12-24/h2-12,17H,13-16,18H2,1H3,(H,28,31)