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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2,6-dimethoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2,6-dimethoxy-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5S/c1-29-16-4-3-5-17(30-2)18(16)19(26)22-20(31)24-10-8-23(9-11-24)15-7-6-13(25(27)28)12-14(15)21/h3-7,12H,8-11H2,1-2H3,(H,22,26,31)