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

Systemtic Name: (1S)-N-butyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-butyl-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-butyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-butyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-butyl-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN2C=CC=C2C1C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4S/c1-2-3-8-19-17(22)21-13-12-20-11-4-5-15(20)16(21)14-6-9-18-10-7-14/h4-7,9-11,16H,2-3,8,12-13H2,1H3,(H,19,22)/t16-/m0/s1