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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[3-benzamido-4-(4-methylpiperazino)phenyl]benzyl]thiophene-2-carboxamide Formula: C36H41N5O2S MolecularWeight: 607.80804

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(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

CN1CCN(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/C36H41N5O2S/c1-39-18-20-40(21-19-39)33-17-12-29(24-32(33)38-35(42)27-8-3-2-4-9-27)28-10-5-7-26(23-28)25-41(31-15-13-30(37)14-16-31)36(43)34-11-6-22-44-34/h2-12,17,22-24,30-31H,13-16,18-21,25,37H2,1H3,(H,38,42)