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

Systemtic Name: N-(4-ethoxyphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-p-phenetyl-1-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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