3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]-N-(2-thienylmethyl)benzamide CAS Name: 3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]-N-(2-thenyl)benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CS3)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C21H21N5O3S/c27-21(23-15-17-4-3-13-30-17)16-6-7-18(19(14-16)26(28)29)24-9-11-25(12-10-24)20-5-1-2-8-22-20/h1-8,13-14H,9-12,15H2,(H,23,27)