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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-phenyl-piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-25-19-9-8-17(16-20(19)26-2)10-11-22-21(27)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,27)