2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O2S/c1-18-3-2-4-21(13-18)25-22(28)16-30-17-23(29)27-11-9-26(10-12-27)15-20-7-5-19(14-24)6-8-20/h2-8,13H,9-12,15-17H2,1H3,(H,25,28)