N-(4-azanylcyclohexyl)-N-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]thiophene-2-carboxamide Formula: C33H38N6OS MolecularWeight: 566.75942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)C6=CC=CS6

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)C6=CC=CS6

InChI

InChI=1S/C33H38N6OS/c34-27-10-12-28(13-11-27)39(33(40)31-7-4-20-41-31)23-24-5-3-6-25(21-24)26-9-14-30(29(35)22-26)37-16-18-38(19-17-37)32-8-1-2-15-36-32/h1-9,14-15,20-22,27-28H,10-13,16-19,23,34-35H2