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

Systemtic Name: 2-chloranyl-N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-chloro-N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-chloro-N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-chloro-N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16Cl2N4O3S/c19-12-5-6-15(16(11-12)24(26)27)22-7-9-23(10-8-22)18(28)21-17(25)13-3-1-2-4-14(13)20/h1-6,11H,7-10H2,(H,21,25,28)