N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H26FN3O2S/c26-19-6-3-5-18(15-19)25(31)29(22-8-2-1-7-21(22)27)16-17-10-12-20(13-11-17)28-24(30)23-9-4-14-32-23/h3-6,9-15,21-22H,1-2,7-8,16,27H2,(H,28,30)