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

Systemtic Name: (1R)-N-(2,3-dimethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1R)-N-(2,3-dimethylphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1R)-N-(2,3-dimethylphenyl)-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1R)-N-(2,3-dimethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1R)-N-(2,3-dimethylphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN3C=CC=C3[C@H]2C4=CN=CC=C4)C

InChI

InChI=1S/C21H22N4S/c1-15-6-3-8-18(16(15)2)23-21(26)25-13-12-24-11-5-9-19(24)20(25)17-7-4-10-22-14-17/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)/t20-/m1/s1