methyl N-[[2-(4-oxidanylidenebutanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(4-oxidanylidenebutanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(4-oxobutanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1,4-dioxobutylamino)-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-oxobutanoylamino)-5-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-ketobutanoylamino)-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CCC=O

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CCC=O

InChI

InChI=1S/C19H19N3O4S2/c1-26-19(25)22-18(27)21-16-12-14(28-13-6-3-2-4-7-13)9-10-15(16)20-17(24)8-5-11-23/h2-4,6-7,9-12H,5,8H2,1H3,(H,20,24)(H2,21,22,25,27)