(1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-1-methyl-N-piperonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CN2CCN1C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1C2=CC=CN2CCN1C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O2S/c1-12-14-3-2-6-19(14)7-8-20(12)17(23)18-10-13-4-5-15-16(9-13)22-11-21-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,23)/t12-/m0/s1