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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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