methyl N-[[4-methylsulfanyl-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-methylsulfanyl-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-methylsulfanyl-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1,4-dioxobutylamino)-4-(methylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-methylsulfanyl-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-ketobutanoylamino)-4-(methylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H17N3O4S2 MolecularWeight: 355.43248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC)NC(=O)CCC=O

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC)NC(=O)CCC=O

InChI

InChI=1S/C14H17N3O4S2/c1-21-14(20)17-13(22)16-10-6-5-9(23-2)8-11(10)15-12(19)4-3-7-18/h5-8H,3-4H2,1-2H3,(H,15,19)(H2,16,17,20,22)