N-[2-(4-methylphenyl)sulfanyl-5-(4-phenylpiperazin-1-yl)carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-phenylpiperazin-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[5-(4-phenylpiperazine-1-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]-5-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: N-[5-(4-phenylpiperazine-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C26H27N3O2S/c1-19-8-11-23(12-9-19)32-25-13-10-21(18-24(25)27-20(2)30)26(31)29-16-14-28(15-17-29)22-6-4-3-5-7-22/h3-13,18H,14-17H2,1-2H3,(H,27,30)