3-phenylpropyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-2-20(27)24-18-11-6-12-19(16-18)25-23(31)26-21(28)13-14-22(29)30-15-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,16H,2,7,10,13-15H2,1H3,(H,24,27)(H2,25,26,28,31)