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

Systemtic Name: (1S)-N-phenethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-phenethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-phenethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-phenethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-phenethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H23N3S MolecularWeight: 361.50312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C2=CC=CN21)C3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3S/c26-22(23-14-13-18-8-3-1-4-9-18)25-17-16-24-15-7-12-20(24)21(25)19-10-5-2-6-11-19/h1-12,15,21H,13-14,16-17H2,(H,23,26)/t21-/m0/s1