N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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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

Isomeric SMILES

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

InChI

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