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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-homoveratryl-piperazine-1-carbothioamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H25N3O3S/c1-13(21)19-8-10-20(11-9-19)17(24)18-7-6-14-4-5-15(22-2)16(12-14)23-3/h4-5,12H,6-11H2,1-3H3,(H,18,24)