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

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(4-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(4-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=CC=C1NC(=O)C2=CC=CS2)C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CC=C1NC(=O)C2=CC=CS2)C3CCC(CC3)N

InChI

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