ethyl (E)-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C16H19N3O4S/c1-3-13(20)17-11-6-5-7-12(10-11)18-16(24)19-14(21)8-9-15(22)23-4-2/h5-10H,3-4H2,1-2H3,(H,17,20)(H2,18,19,21,24)/b9-8+