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(phenylmethyl) 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate

(phenylmethyl) 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name:(phenylmethyl) 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate
Openeye Name:benzyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate
CAS Name:2-[3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid (phenylmethyl) ester
IUPAC Name:benzyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate
Traditional Name:2-[3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid benzyl ester
Formula: C17H21N3O4S
MolecularWeight: 363.43134
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2


Isomeric SMILES

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2


InChI

InChI=1S/C17H21N3O4S/c1-2-14(21)19-17(25)20-9-8-18-16(23)13(20)10-15(22)24-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,23)(H,19,21,25)


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