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

Systemtic Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[2-(p-tolylsulfanyl)-5-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: N-[2-(p-tolylthio)-5-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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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=N4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC(=O)C

InChI

InChI=1S/C25H26N4O2S/c1-18-6-9-21(10-7-18)32-23-11-8-20(17-22(23)27-19(2)30)25(31)29-15-13-28(14-16-29)24-5-3-4-12-26-24/h3-12,17H,13-16H2,1-2H3,(H,27,30)