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

Systemtic Name: 2-phenoxyethyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=S)N1CCNC(=O)C1CC(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-2-8-20-18(26)21-10-9-19-17(23)15(21)13-16(22)25-12-11-24-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,19,23)(H,20,26)