ethyl (E)-4-oxidanylidene-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C22H23N3O4S/c1-3-29-20(27)13-12-19(26)25-22(30)24-18-11-7-10-17(14-18)21(28)23-15(2)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,23,28)(H2,24,25,26,30)/b13-12+