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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-methyl-piperazine-1-carbothioamide Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H25N3O2S/c1-18-8-10-19(11-9-18)16(22)17-7-6-13-4-5-14(20-2)15(12-13)21-3/h4-5,12H,6-11H2,1-3H3,(H,17,22)