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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(o-tolyl)piperazine-1-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O2S/c1-17-6-4-5-7-19(17)24-12-14-25(15-13-24)22(28)23-11-10-18-8-9-20(26-2)21(16-18)27-3/h4-9,16H,10-15H2,1-3H3,(H,23,28)