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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-26-19-7-5-18(6-8-19)24-12-14-25(15-13-24)22(29)23-11-10-17-4-9-20(27-2)21(16-17)28-3/h4-9,16H,10-15H2,1-3H3,(H,23,29)