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

Systemtic Name: (1S)-N-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-butyl-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-butyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-butyl-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C19H25N3S MolecularWeight: 327.4869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=S)N1CCN2C=CC=C2[C@@H]1C3=CC=C(C=C3)C

InChI

InChI=1S/C19H25N3S/c1-3-4-11-20-19(23)22-14-13-21-12-5-6-17(21)18(22)16-9-7-15(2)8-10-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,20,23)/t18-/m0/s1