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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3OS MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3OS/c1-14-4-5-15(2)18(12-14)23-8-10-24(11-9-23)20(26)22-17-13-16(21)6-7-19(17)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)