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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-14-5-6-15(2)18(11-14)24-7-9-25(10-8-24)21(28)23-17-13-19(26-3)16(22)12-20(17)27-4/h5-6,11-13H,7-10H2,1-4H3,(H,23,28)