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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-propoxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(4-propoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-propoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-propoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-propoxyphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-2-16-28-20-12-10-19(11-13-20)24-23(30)25-21(26)14-15-22(27)29-17-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-17H2,1H3,(H2,24,25,26,30)