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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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