N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-iodanyl-benzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-iodanyl-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-iodo-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-iodobenzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-iodo-benzamide Formula: C18H16ClIN4O3S MolecularWeight: 530.76711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H16ClIN4O3S/c19-13-5-3-7-15(24(26)27)16(13)22-8-10-23(11-9-22)18(28)21-17(25)12-4-1-2-6-14(12)20/h1-7H,8-11H2,(H,21,25,28)