3-phenylpropyl 4-oxidanylidene-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(2-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-allyloxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCOC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O4S/c1-2-16-28-20-13-7-6-12-19(20)24-23(30)25-21(26)14-15-22(27)29-17-8-11-18-9-4-3-5-10-18/h2-7,9-10,12-13H,1,8,11,14-17H2,(H2,24,25,26,30)