N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3OS MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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