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

Systemtic Name: ethyl (E)-4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(isovalerylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-4-25-17(24)10-9-15(22)21-18(26)20-14-7-5-13(6-8-14)19-16(23)11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,19,23)(H2,20,21,22,26)/b10-9+