6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-methylpyrazol-3-yl)hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-methylpyrazol-3-yl)hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-methylpyrazol-3-yl)hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-methyl-3-pyrazolyl)hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-methylpyrazol-3-yl)hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(1-methylpyrazol-3-yl)hexanamide Formula: C17H21N5O3S MolecularWeight: 375.44534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN1C=CC(=N1)NC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H21N5O3S/c1-22-12-10-15(20-22)19-16(23)9-3-2-6-11-18-17-13-7-4-5-8-14(13)26(24,25)21-17/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,18,21)(H,19,20,23)