3,4-bis(chloranyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dichloro-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dichloro-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-dichloro-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H15Cl3N4O3S MolecularWeight: 473.7607

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(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl3N4O3S/c19-12-5-4-11(10-14(12)21)17(26)22-18(29)24-8-6-23(7-9-24)16-13(20)2-1-3-15(16)25(27)28/h1-5,10H,6-9H2,(H,22,26,29)