2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-methyl-4-methylsulfanyl-butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-methyl-4-methylsulfanyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-4-methylsulfanyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-4-(methylthio)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-4-methylsulfanylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-methyl-4-(methylthio)butyramide Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H17N3O3S2/c1-14-13(17)10(7-8-20-2)15-12-9-5-3-4-6-11(9)21(18,19)16-12/h3-6,10H,7-8H2,1-2H3,(H,14,17)(H,15,16)