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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3S MolecularWeight: 373.94266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3S/c1-14-5-7-18(17(21)12-14)22-20(25)24-10-8-23(9-11-24)19-13-15(2)4-6-16(19)3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)