methyl N-[[2-(3-oxidanylidenebutanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(3-oxidanylidenebutanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(3-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-(1,3-dioxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(3-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(acetoacetylamino)-5-benzoyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C20H19N3O5S/c1-12(24)10-17(25)21-15-9-8-14(18(26)13-6-4-3-5-7-13)11-16(15)22-19(29)23-20(27)28-2/h3-9,11H,10H2,1-2H3,(H,21,25)(H2,22,23,27,29)