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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H19N3O4S/c1-2-27-18(25)13-12-17(24)23-20(28)22-16-11-7-6-10-15(16)19(26)21-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,21,26)(H2,22,23,24,28)/b13-12+