3-phenylpropyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-(benzylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(benzylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c24-19(23-21(27)22-16-18-10-5-2-6-11-18)13-14-20(25)26-15-7-12-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2,(H2,22,23,24,27)