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

Systemtic Name: N-(4-methylphenyl)-2-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(4-methylphenyl)-2-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide Traditional Name: 2-[[2-(4-isobutyrylpiperazino)-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C20H29N3O3S/c1-14(2)19(25)22-9-11-23(12-10-22)20(26)16(4)27-13-18(24)21-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,21,24)