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

Systemtic Name: (1S)-N-butyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-butyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-butyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-butyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-butyl-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3OS/c1-3-5-12-21-20(25)23-15-14-22-13-6-7-18(22)19(23)16-8-10-17(11-9-16)24-4-2/h6-11,13,19H,3-5,12,14-15H2,1-2H3,(H,21,25)/t19-/m0/s1