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

Systemtic Name: methyl N-[[2-(3-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(3-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1,3-dioxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(3-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(acetoacetylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC

InChI

InChI=1S/C13H15N3O4S/c1-8(17)7-11(18)14-9-5-3-4-6-10(9)15-12(21)16-13(19)20-2/h3-6H,7H2,1-2H3,(H,14,18)(H2,15,16,19,21)