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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(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=C2)NC(=O)C3=CC=CS3)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4CCCCC4N

InChI

InChI=1S/C25H33N3O2S/c26-21-12-4-5-13-22(21)28(25(30)19-9-2-1-3-10-19)17-18-8-6-11-20(16-18)27-24(29)23-14-7-15-31-23/h6-8,11,14-16,19,21-22H,1-5,9-10,12-13,17,26H2,(H,27,29)