(1S)-1,6-dimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: (1S)-1,6-dimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-1,6-dimethyl-N-(m-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-1,6-dimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-1,6-dimethyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-1,6-dimethyl-N-(m-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=C(N2CCN1C(=S)NC3=CC=CC(=C3)C)C

Isomeric SMILES

C[C@H]1C2=CC=C(N2CCN1C(=S)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C17H21N3S/c1-12-5-4-6-15(11-12)18-17(21)20-10-9-19-13(2)7-8-16(19)14(20)3/h4-8,11,14H,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1