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

Systemtic Name: N-(2-methoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2-methoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2-methoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2-methoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2-methoxyphenyl)-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCN3C=CC=C3C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-28-19-10-3-2-8-17(19)22-21(29)24-13-12-23-11-5-9-18(23)20(24)15-6-4-7-16(14-15)25(26)27/h2-11,14,20H,12-13H2,1H3,(H,22,29)