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

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-[4-(2-chlorobenzoyl)piperazino]phenyl]acetamide Formula: C29H32ClN3O2S MolecularWeight: 522.10128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H32ClN3O2S/c1-29(2,3)21-8-14-24(15-9-21)36-20-27(34)31-22-10-12-23(13-11-22)32-16-18-33(19-17-32)28(35)25-6-4-5-7-26(25)30/h4-15H,16-20H2,1-3H3,(H,31,34)