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

Systemtic Name: (1S)-N-(4-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(4-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(4-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(4-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-1-methyl-N-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3[C@@H]2C

InChI

InChI=1S/C17H21N3OS/c1-3-21-15-8-6-14(7-9-15)18-17(22)20-12-11-19-10-4-5-16(19)13(20)2/h4-10,13H,3,11-12H2,1-2H3,(H,18,22)/t13-/m0/s1