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

Systemtic Name: (1S)-1-(4-methoxyphenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-1-(4-methoxyphenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-1-(4-methoxyphenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-1-(4-methoxyphenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-1-(4-methoxyphenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C3=CC=CN3CCN2C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-27-20-11-9-19(10-12-20)22-21-8-5-15-25(21)16-17-26(22)23(28)24-14-13-18-6-3-2-4-7-18/h2-12,15,22H,13-14,16-17H2,1H3,(H,24,28)/t22-/m0/s1