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

Systemtic Name: (1R)-N-(phenylmethyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1R)-N-benzyl-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1R)-N-(phenylmethyl)-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1R)-N-benzyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1R)-N-benzyl-1-(3-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=CN=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4S/c25-20(22-14-16-6-2-1-3-7-16)24-13-12-23-11-5-9-18(23)19(24)17-8-4-10-21-15-17/h1-11,15,19H,12-14H2,(H,22,25)/t19-/m1/s1