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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S/c19-15-12-14(23(25)26)6-7-16(15)21-8-10-22(11-9-21)18(27)20-17(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,24,27)