N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-methylsulfanyl-1-oxidanyl-butan-2-yl)-2-(methylsulfonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(hydroxymethyl)-3-methylsulfanyl-propyl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide CAS Name: N-[1-hydroxy-4-(methylthio)butan-2-yl]-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(methanesulfonamido)-N-[1-methylol-3-(methylthio)propyl]-1,3-benzothiazole-6-carboxamide Formula: C14H19N3O4S3 MolecularWeight: 389.51336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C

Isomeric SMILES

CSCCC(CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C

InChI

InChI=1S/C14H19N3O4S3/c1-22-6-5-10(8-18)15-13(19)9-3-4-11-12(7-9)23-14(16-11)17-24(2,20)21/h3-4,7,10,18H,5-6,8H2,1-2H3,(H,15,19)(H,16,17)