N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4,5-trimethoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4,5-trimethoxy-benzamide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O6S/c1-30-17-10-13(11-18(31-2)19(17)32-3)20(27)23-21(33)25-8-6-24(7-9-25)16-5-4-14(26(28)29)12-15(16)22/h4-5,10-12H,6-9H2,1-3H3,(H,23,27,33)