ethyl (E)-4-oxidanylidene-4-[[2-(propylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-(propylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(propylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(propylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[2-(propylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H21N3O4S/c1-3-11-18-16(23)12-7-5-6-8-13(12)19-17(25)20-14(21)9-10-15(22)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,18,23)(H2,19,20,21,25)/b10-9+