N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[4-(4-m-toluoylpiperazino)phenyl]-2-(2-pyridylthio)acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O2S/c1-19-5-4-6-20(17-19)25(31)29-15-13-28(14-16-29)22-10-8-21(9-11-22)27-23(30)18-32-24-7-2-3-12-26-24/h2-12,17H,13-16,18H2,1H3,(H,27,30)