N-[4-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3CCCCC3N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3CCCCC3N

InChI

InChI=1S/C24H33N3O2S/c1-24(2,3)15-22(28)27(20-8-5-4-7-19(20)25)16-17-10-12-18(13-11-17)26-23(29)21-9-6-14-30-21/h6,9-14,19-20H,4-5,7-8,15-16,25H2,1-3H3,(H,26,29)