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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCCC(=O)N2CCNCC2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCCC(=O)N2CCNCC2

InChI

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