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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-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=C1C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O4S/c1-2-28-19(26)13-12-18(25)24-21(29)23-17-11-7-6-10-16(17)20(27)22-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,27)(H2,23,24,25,29)/b13-12+