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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(2-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=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=CC=C3O)OC

InChI

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