N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CS3)C4CCCCC4N

InChI

InChI=1S/C25H33N3O2S/c26-20-12-5-7-14-22(20)28(25(30)18-9-2-1-3-10-18)17-19-11-4-6-13-21(19)27-24(29)23-15-8-16-31-23/h4,6,8,11,13,15-16,18,20,22H,1-3,5,7,9-10,12,14,17,26H2,(H,27,29)