N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazino]phenyl]-2-(phenylthio)acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-21-6-5-7-22(18-21)19-27(32)30-16-14-29(15-17-30)24-12-10-23(11-13-24)28-26(31)20-33-25-8-3-2-4-9-25/h2-13,18H,14-17,19-20H2,1H3,(H,28,31)