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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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