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

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-methyl-4-(p-tolyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-3-methyl-4-(p-tolyl)piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O2S/c1-15-5-7-17(8-6-15)24-12-11-23(14-16(24)2)21(27)22-19-13-18(25-3)9-10-20(19)26-4/h5-10,13,16H,11-12,14H2,1-4H3,(H,22,27)