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

Systemtic Name: (1S)-1-(4-fluorophenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-benzyl-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-1-(4-fluorophenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-benzyl-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-benzyl-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20FN3S MolecularWeight: 365.467003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3S/c22-18-10-8-17(9-11-18)20-19-7-4-12-24(19)13-14-25(20)21(26)23-15-16-5-2-1-3-6-16/h1-12,20H,13-15H2,(H,23,26)/t20-/m0/s1