2-chloranyl-5-iodanyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-chloro-5-iodo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C19H18ClIN4O4S MolecularWeight: 560.79309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClIN4O4S/c1-29-13-3-5-16(17(11-13)25(27)28)23-6-8-24(9-7-23)19(30)22-18(26)14-10-12(21)2-4-15(14)20/h2-5,10-11H,6-9H2,1H3,(H,22,26,30)