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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-homoveratryl-piperazine-1-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-26-20-9-8-18(16-21(20)27-2)10-11-23-22(28)25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,28)