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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(4-methylpiperazino)-3-nitro-phenyl]benzyl]thiophene-2-carboxamide Formula: C29H35N5O3S MolecularWeight: 533.6849

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

Isomeric SMILES

CN1CCN(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/C29H35N5O3S/c1-31-13-15-32(16-14-31)26-12-7-23(19-27(26)34(36)37)22-5-2-4-21(18-22)20-33(25-10-8-24(30)9-11-25)29(35)28-6-3-17-38-28/h2-7,12,17-19,24-25H,8-11,13-16,20,30H2,1H3