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

Systemtic Name: ethyl (E)-4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O4S/c1-3-28-19(26)13-12-18(25)23-21(29)22-16-9-7-8-15(14-16)20(27)24(2)17-10-5-4-6-11-17/h4-14H,3H2,1-2H3,(H2,22,23,25,29)/b13-12+