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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(1-azepanyl)-3-nitrophenyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitrophenyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(azepan-1-yl)-3-nitro-phenyl]benzyl]thiophene-2-carboxamide Formula: C30H36N4O3S MolecularWeight: 532.69684

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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)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C30H36N4O3S/c31-25-11-13-26(14-12-25)33(30(35)29-9-6-18-38-29)21-22-7-5-8-23(19-22)24-10-15-27(28(20-24)34(36)37)32-16-3-1-2-4-17-32/h5-10,15,18-20,25-26H,1-4,11-14,16-17,21,31H2