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

Systemtic Name: 1-(4-ethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-ethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-ethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-ethoxyphenyl)-N-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(4-nitrophenyl)-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-2-29-19-11-5-16(6-12-19)21-20-4-3-13-24(20)14-15-25(21)22(30)23-17-7-9-18(10-8-17)26(27)28/h3-13,21H,2,14-15H2,1H3,(H,23,30)