N-(4-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: N-(4-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: N-(4-carbamothioylphenyl)-2-(3-oxopiperazin-1-yl)propanamide CAS Name: N-(4-carbamothioylphenyl)-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: N-(4-carbamothioylphenyl)-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: 2-(3-ketopiperazino)-N-(4-thiocarbamoylphenyl)propionamide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=S)N)N2CCNC(=O)C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=S)N)N2CCNC(=O)C2

InChI

InChI=1S/C14H18N4O2S/c1-9(18-7-6-16-12(19)8-18)14(20)17-11-4-2-10(3-5-11)13(15)21/h2-5,9H,6-8H2,1H3,(H2,15,21)(H,16,19)(H,17,20)