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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4-dimethoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4-dimethoxy-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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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)[N+](=O)[O-])Cl)OC

Isomeric SMILES

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

InChI

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