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

Systemtic Name: ethyl (E)-4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(3-butyramidophenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H21N3O4S/c1-3-6-14(21)18-12-7-5-8-13(11-12)19-17(25)20-15(22)9-10-16(23)24-4-2/h5,7-11H,3-4,6H2,1-2H3,(H,18,21)(H2,19,20,22,25)/b10-9+