4-chloranyl-N-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-chloro-N-[4-(5-nitro-8-quinolyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-chloro-N-[[4-(5-nitro-8-quinolinyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-chloro-N-[4-(5-nitro-8-quinolyl)piperazine-1-carbothioyl]benzamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=S)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=S)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O3S/c22-15-5-3-14(4-6-15)20(28)24-21(31)26-12-10-25(11-13-26)18-8-7-17(27(29)30)16-2-1-9-23-19(16)18/h1-9H,10-13H2,(H,24,28,31)