ethyl (E)-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]amino]but-2-enoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O4S/c1-3-30-21(28)14-13-20(27)25-23(31)26(2)19-12-8-7-11-18(19)22(29)24-16-15-17-9-5-4-6-10-17/h4-14H,3,15-16H2,1-2H3,(H,24,29)(H,25,27,31)/b14-13+