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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-pyridin-2-yl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridinyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-pyridin-2-ylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridyl)butyramide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=N1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=N1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H18N4O3S/c1-11(2)15(17(22)19-14-9-5-6-10-18-14)20-16-12-7-3-4-8-13(12)25(23,24)21-16/h3-11,15H,1-2H3,(H,20,21)(H,18,19,22)