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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]acetamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-2-20-3-5-21(6-4-20)27(33)31-17-15-30(16-18-31)24-11-9-23(10-12-24)29-26(32)19-34-25-13-7-22(28)8-14-25/h3-14H,2,15-19H2,1H3,(H,29,32)