phenethyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-(benzylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-(benzylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzylthiocarbamoylamino)-4-keto-butyric acid phenethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S/c23-18(22-20(26)21-15-17-9-5-2-6-10-17)11-12-19(24)25-14-13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,22,23,26)