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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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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)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O4S/c1-29-19-10-5-15(14-20(19)30-2)21-18-4-3-11-24(18)12-13-25(21)22(31)23-16-6-8-17(9-7-16)26(27)28/h3-11,14,21H,12-13H2,1-2H3,(H,23,31)