N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

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