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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(3,4-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=C(C=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)I)OC

Isomeric SMILES

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

InChI

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