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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridylmethyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-pyridylmethyl)butyramide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=N1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=N1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H20N4O3S/c1-12(2)16(18(23)20-11-13-7-5-6-10-19-13)21-17-14-8-3-4-9-15(14)26(24,25)22-17/h3-10,12,16H,11H2,1-2H3,(H,20,23)(H,21,22)