N-(3,4-dimethylphenyl)-2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(2-oxo-2-piperazin-1-yl-ethyl)sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[2-oxo-2-(1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-keto-2-piperazino-ethyl)thio]acetamide Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)N2CCNCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)N2CCNCC2)C

InChI

InChI=1S/C16H23N3O2S/c1-12-3-4-14(9-13(12)2)18-15(20)10-22-11-16(21)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3,(H,18,20)