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

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O3S/c1-2-10-21-19(26)22-12-11-20-18(24)16(22)14-17(23)25-13-6-9-15-7-4-3-5-8-15/h2-5,7-8,16H,1,6,9-14H2,(H,20,24)(H,21,26)