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

Systemtic Name: methyl N-[[4-aminocarbonylsulfanyl-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-carbamoylsulfanyl-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(carbamoylthio)-2-(1,4-dioxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-carbamoylsulfanyl-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(carbamoylthio)-2-(4-ketobutanoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H16N4O5S2 MolecularWeight: 384.43064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S2/c1-23-14(22)18-13(24)17-9-5-4-8(25-12(15)21)7-10(9)16-11(20)3-2-6-19/h4-7H,2-3H2,1H3,(H2,15,21)(H,16,20)(H2,17,18,22,24)