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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-26-19-7-6-16(14-20(19)27-2)8-9-22-21(28)24-12-10-23(11-13-24)17-4-3-5-18(25)15-17/h3-7,14-15,25H,8-13H2,1-2H3,(H,22,28)