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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N3O3S/c1-17(27)19-5-7-20(8-6-19)25-12-14-26(15-13-25)23(30)24-11-10-18-4-9-21(28-2)22(16-18)29-3/h4-9,16H,10-15H2,1-3H3,(H,24,30)