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

Systemtic Name: (1S)-N-(phenylmethyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-benzyl-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(phenylmethyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-benzyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-benzyl-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC=NC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C2=CC=CN21)C3=CC=NC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4S/c25-20(22-15-16-5-2-1-3-6-16)24-14-13-23-12-4-7-18(23)19(24)17-8-10-21-11-9-17/h1-12,19H,13-15H2,(H,22,25)/t19-/m0/s1