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

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

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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)OC)OC

Isomeric SMILES

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

InChI

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