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

Systemtic Name: 3-phenylpropyl 4-[(3-hydroxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-hydroxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-hydroxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-hydroxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c23-17-10-4-9-16(14-17)21-20(27)22-18(24)11-12-19(25)26-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,23H,5,8,11-13H2,(H2,21,22,24,27)