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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-27-20-6-4-5-19(15-20)17-25-11-13-26(14-12-25)23(30)24-10-9-18-7-8-21(28-2)22(16-18)29-3/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,30)