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

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitro-benzamide Formula: C19H18ClN5O6S MolecularWeight: 479.89412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O6S/c1-31-17-5-2-12(10-16(17)25(29)30)18(26)21-19(32)23-8-6-22(7-9-23)14-4-3-13(20)11-15(14)24(27)28/h2-5,10-11H,6-9H2,1H3,(H,21,26,32)