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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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