phenethyl 4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c24-19(23-21(27)22-15-13-17-7-3-1-4-8-17)11-12-20(25)26-16-14-18-9-5-2-6-10-18/h2,5-7,9-10H,1,3-4,8,11-16H2,(H2,22,23,24,27)