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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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