N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C24H27N3OS/c1-4-28-21-9-7-19(8-10-21)23-22-6-5-11-26(22)12-13-27(23)24(29)25-20-15-17(2)14-18(3)16-20/h5-11,14-16,23H,4,12-13H2,1-3H3,(H,25,29)