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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C3=CC=CN3CCN2C(=S)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C3=CC=CN3CCN2C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-26-17-10-11-20(27-2)18(15-17)21-19-9-6-12-24(19)13-14-25(21)22(28)23-16-7-4-3-5-8-16/h3-12,15,21H,13-14H2,1-2H3,(H,23,28)