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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25ClN4O2S/c27-23-12-9-21(30-25(32)24-2-1-13-34-24)14-19(23)16-31(22-10-7-20(29)8-11-22)26(33)18-5-3-17(15-28)4-6-18/h1-6,9,12-14,20,22H,7-8,10-11,16,29H2,(H,30,32)