methyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H16N4O5S3 MolecularWeight: 428.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2

InChI

InChI=1S/C15H16N4O5S3/c1-24-13(21)7-6-12(20)18-14(25)17-10-2-4-11(5-3-10)27(22,23)19-15-16-8-9-26-15/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H2,17,18,20,25)