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

Systemtic Name: 3-phenylpropyl 2-[1-(ethylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(ethylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[ethylamino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(ethylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-2-19-18(25)21-11-10-20-17(23)15(21)13-16(22)24-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,25)(H,20,23)