3-phenylpropyl 4-oxidanylidene-4-(phenylcarbamothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(phenylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(phenylcarbamothioylamino)butanoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(phenylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(phenylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2

InChI

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