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

Systemtic Name: ethyl (E)-4-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(sec-butylcarbamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-[[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-4-12(3)19-17(24)13-8-6-7-9-14(13)20-18(26)21-15(22)10-11-16(23)25-5-2/h6-12H,4-5H2,1-3H3,(H,19,24)(H2,20,21,22,26)/b11-10+