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

Systemtic Name: ethyl (E)-4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(m-tolylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-(m-tolylcarbamoyl)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)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C21H21N3O4S/c1-3-28-19(26)11-10-18(25)24-21(29)23-17-9-5-7-15(13-17)20(27)22-16-8-4-6-14(2)12-16/h4-13H,3H2,1-2H3,(H,22,27)(H2,23,24,25,29)/b11-10+