N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(1-azepanyl)-3-benzamidophenyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-benzamidophenyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(azepan-1-yl)-3-benzamido-phenyl]benzyl]thiophene-2-carboxamide Formula: C37H42N4O2S MolecularWeight: 606.81998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H42N4O2S/c38-31-16-18-32(19-17-31)41(37(43)35-14-9-23-44-35)26-27-10-8-13-29(24-27)30-15-20-34(40-21-6-1-2-7-22-40)33(25-30)39-36(42)28-11-4-3-5-12-28/h3-5,8-15,20,23-25,31-32H,1-2,6-7,16-19,21-22,26,38H2,(H,39,42)