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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O2S/c1-18-6-4-5-7-20(18)17-25-12-14-26(15-13-25)23(29)24-11-10-19-8-9-21(27-2)22(16-19)28-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,29)