4-chloranyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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