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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NN(C=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NC1=NN(C=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H21N5O3S/c1-3-4-8-13(17(23)19-15-10-11-22(2)20-15)18-16-12-7-5-6-9-14(12)26(24,25)21-16/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,18,21)(H,19,20,23)