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

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-(3-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=CC(=C(C=C1)OC)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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