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

Systemtic Name: 1-(4-ethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-ethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-ethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-ethoxyphenyl)-N-(4-iodophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(4-iodophenyl)-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22IN3OS MolecularWeight: 503.39905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)I

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC=CN3CCN2C(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C22H22IN3OS/c1-2-27-19-11-5-16(6-12-19)21-20-4-3-13-25(20)14-15-26(21)22(28)24-18-9-7-17(23)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,24,28)