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

Systemtic Name: 2-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[1-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazino]-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-18-3-9-22(10-4-18)26-23(29)17-31-19(2)24(30)28-13-11-27(12-14-28)16-21-7-5-20(15-25)6-8-21/h3-10,19H,11-14,16-17H2,1-2H3,(H,26,29)