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

Systemtic Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1,4-dioxobutylamino)-4-[(methylthio)methylthio]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-ketobutanoylamino)-4-[(methylthio)methylthio]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H19N3O4S3 MolecularWeight: 401.52406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S3/c1-22-15(21)18-14(23)17-11-6-5-10(25-9-24-2)8-12(11)16-13(20)4-3-7-19/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H2,17,18,21,23)