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

Systemtic Name: N-(4-ethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-p-phenetyl-1-(4-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C4=CC=NC=C4

InChI

InChI=1S/C21H22N4OS/c1-2-26-18-7-5-17(6-8-18)23-21(27)25-15-14-24-13-3-4-19(24)20(25)16-9-11-22-12-10-16/h3-13,20H,2,14-15H2,1H3,(H,23,27)