N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-o-toluoylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-20-7-5-6-10-24(20)26(31)29-17-15-28(16-18-29)22-13-11-21(12-14-22)27-25(30)19-32-23-8-3-2-4-9-23/h2-14H,15-19H2,1H3,(H,27,30)