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

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O4S/c1-2-16(23)21-19(27)22-11-10-20-18(25)15(22)13-17(24)26-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)(H,21,23,27)