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

Systemtic Name: 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(4-chlorophenyl)-N-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3OS/c1-2-27-19-11-9-18(10-12-19)24-22(28)26-15-14-25-13-3-4-20(25)21(26)16-5-7-17(23)8-6-16/h3-13,21H,2,14-15H2,1H3,(H,24,28)