5-bromanyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]nicotinamide Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H16BrN5O3S/c18-13-9-12(10-19-11-13)16(24)20-17(27)22-7-5-21(6-8-22)14-1-3-15(4-2-14)23(25)26/h1-4,9-11H,5-8H2,(H,20,24,27)