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

Systemtic Name: (1S)-N-(2,5-dimethoxyphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(2,5-dimethoxyphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(2,5-dimethoxyphenyl)-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(2,5-dimethoxyphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-(2,5-dimethoxyphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN3C=CC=C3[C@@H]2C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-26-16-7-8-19(27-2)17(13-16)23-21(28)25-12-11-24-10-4-6-18(24)20(25)15-5-3-9-22-14-15/h3-10,13-14,20H,11-12H2,1-2H3,(H,23,28)/t20-/m0/s1