4-(5-chloranyl-2-methyl-phenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C20H24ClN3O2S/c1-14-4-5-15(21)10-19(14)23-6-8-24(9-7-23)20(27)22-16-11-17(25-2)13-18(12-16)26-3/h4-5,10-13H,6-9H2,1-3H3,(H,22,27)