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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(2,5-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(2,5-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(2,5-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(2,5-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22IN3O2S MolecularWeight: 519.39845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)I

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C22H22IN3O2S/c1-27-17-9-10-20(28-2)18(14-17)21-19-4-3-11-25(19)12-13-26(21)22(29)24-16-7-5-15(23)6-8-16/h3-11,14,21H,12-13H2,1-2H3,(H,24,29)