N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H23Cl2N3O2S MolecularWeight: 440.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H23Cl2N3O2S/c1-13-4-5-14(21)10-17(13)24-6-8-25(9-7-24)20(28)23-16-12-18(26-2)15(22)11-19(16)27-3/h4-5,10-12H,6-9H2,1-3H3,(H,23,28)