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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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