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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)C

InChI

InChI=1S/C22H23N3S/c1-16-5-9-18(10-6-16)21-20-4-3-13-24(20)14-15-25(21)22(26)23-19-11-7-17(2)8-12-19/h3-13,21H,14-15H2,1-2H3,(H,23,26)/t21-/m0/s1