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

Systemtic Name: (1S)-N-butyl-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-butyl-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-butyl-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-butyl-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-butyl-1-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN2C=CC=C2C1C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCN2C=CC=C2[C@@H]1C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H27N3O2S/c1-4-5-10-21-20(26)23-13-12-22-11-6-7-17(22)19(23)16-14-15(24-2)8-9-18(16)25-3/h6-9,11,14,19H,4-5,10,12-13H2,1-3H3,(H,21,26)/t19-/m0/s1