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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O2S/c1-17-5-6-18(2)20(15-17)25-11-13-26(14-12-25)23(29)24-10-9-19-7-8-21(27-3)22(16-19)28-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,29)