N-[2-[(1-cyano-3-methyl-butyl)carbamoyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(1-cyano-3-methyl-butyl)carbamoyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(1-cyano-3-methyl-butyl)carbamoyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[[(1-cyano-3-methylbutyl)amino]-oxomethyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(1-cyano-3-methylbutyl)carbamoyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(1-cyano-3-methyl-butyl)carbamoyl]cyclohexyl]-1,3-benzothiazole-6-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H26N4O2S/c1-13(2)9-15(11-22)24-21(27)16-5-3-4-6-17(16)25-20(26)14-7-8-18-19(10-14)28-12-23-18/h7-8,10,12-13,15-17H,3-6,9H2,1-2H3,(H,24,27)(H,25,26)