ethyl 4-oxidanylidene-4-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(propylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C17H23N3O4S/c1-3-10-18-16(23)12-6-5-7-13(11-12)19-17(25)20-14(21)8-9-15(22)24-4-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,23)(H2,19,20,21,25)