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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S/c27-16-18-10-12-20(13-11-18)26(32)30(23-8-2-1-7-22(23)28)17-19-5-3-6-21(15-19)29-25(31)24-9-4-14-33-24/h3-6,9-15,22-23H,1-2,7-8,17,28H2,(H,29,31)