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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-cyanocyclopropyl)-3-cyclohexyl-propanamide Openeye Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-(1-cyanocyclopropyl)-3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CC2)C#N)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CC2)C#N)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H24N4O3S/c21-13-20(10-11-20)23-19(25)16(12-14-6-2-1-3-7-14)22-18-15-8-4-5-9-17(15)28(26,27)24-18/h4-5,8-9,14,16H,1-3,6-7,10-12H2,(H,22,24)(H,23,25)