N-[2-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(2-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C24H33N3O2S MolecularWeight: 427.60272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=CC=C1NC(=O)C2=CC=CS2)C3CCCCC3N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CC=C1NC(=O)C2=CC=CS2)C3CCCCC3N

InChI

InChI=1S/C24H33N3O2S/c1-24(2,3)15-22(28)27(20-12-7-5-10-18(20)25)16-17-9-4-6-11-19(17)26-23(29)21-13-8-14-30-21/h4,6,8-9,11,13-14,18,20H,5,7,10,12,15-16,25H2,1-3H3,(H,26,29)