2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-cyanopropan-2-yl)-3-cyclohexyl-propanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-cyanopropan-2-yl)-3-cyclohexyl-propanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(2-cyanopropan-2-yl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(2-cyanopropan-2-yl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)C(CC1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C#N)NC(=O)C(CC1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H26N4O3S/c1-20(2,13-21)23-19(25)16(12-14-8-4-3-5-9-14)22-18-15-10-6-7-11-17(15)28(26,27)24-18/h6-7,10-11,14,16H,3-5,8-9,12H2,1-2H3,(H,22,24)(H,23,25)