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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(3-oxo-3-piperazin-1-yl-propyl)sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[3-oxo-3-(1-piperazinyl)propyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(3-oxo-3-piperazin-1-ylpropyl)sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(3-keto-3-piperazino-propyl)thio]acetamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-13-3-4-15(11-14(13)2)19-16(21)12-23-10-5-17(22)20-8-6-18-7-9-20/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,21)