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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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