N-(4-azanylcyclohexyl)-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-thenoyl)piperazino]benzamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4S/c23-16-4-6-17(7-5-16)24-21(28)15-3-8-18(19(14-15)27(30)31)25-9-11-26(12-10-25)22(29)20-2-1-13-32-20/h1-3,8,13-14,16-17H,4-7,9-12,23H2,(H,24,28)