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

Systemtic Name: (1S)-N-phenethyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-phenethyl-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-phenethyl-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-phenethyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-phenethyl-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:

C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C2=CC=CN21)C3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c26-21(23-12-10-17-6-2-1-3-7-17)25-15-14-24-13-5-9-19(24)20(25)18-8-4-11-22-16-18/h1-9,11,13,16,20H,10,12,14-15H2,(H,23,26)/t20-/m0/s1