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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-cyano-1-cyclohexyl-pyrrolidin-3-yl)-3-cyclohexyl-propanamide Openeye Name: N-(3-cyano-1-cyclohexyl-pyrrolidin-3-yl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(3-cyano-1-cyclohexyl-3-pyrrolidinyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-(3-cyano-1-cyclohexyl-pyrrolidin-3-yl)-3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C27H37N5O3S MolecularWeight: 511.67938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C3CCCCC3)C#N)NC4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)C3CCCCC3)C#N)NC4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H37N5O3S/c28-18-27(15-16-32(19-27)21-11-5-2-6-12-21)30-26(33)23(17-20-9-3-1-4-10-20)29-25-22-13-7-8-14-24(22)36(34,35)31-25/h7-8,13-14,20-21,23H,1-6,9-12,15-17,19H2,(H,29,31)(H,30,33)