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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O2S/c1-27-21-9-8-20(18-22(21)28-2)10-12-24-23(29)26-16-14-25(15-17-26)13-11-19-6-4-3-5-7-19/h3-9,18H,10-17H2,1-2H3,(H,24,29)