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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-cyanocyclopropyl)-4-methyl-pentanamide Openeye Name: N-(1-cyanocyclopropyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methyl-pentanamide CAS Name: N-(1-cyanocyclopropyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylpentanamide IUPAC Name: N-(1-cyanocyclopropyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylpentanamide Traditional Name: N-(1-cyanocyclopropyl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-methyl-valeramide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC1)C#N)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)CC(C(=O)NC1(CC1)C#N)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H20N4O3S/c1-11(2)9-13(16(22)20-17(10-18)7-8-17)19-15-12-5-3-4-6-14(12)25(23,24)21-15/h3-6,11,13H,7-9H2,1-2H3,(H,19,21)(H,20,22)