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

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O5S/c19-14-5-2-6-15(24(28)29)16(14)21-7-9-22(10-8-21)18(30)20-17(25)12-3-1-4-13(11-12)23(26)27/h1-6,11H,7-10H2,(H,20,25,30)