N-(2,6-diethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2,6-diethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2,6-diethylphenyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-1-p-phenetyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OCC

InChI

InChI=1S/C26H31N3OS/c1-4-19-9-7-10-20(5-2)24(19)27-26(31)29-18-17-28-16-8-11-23(28)25(29)21-12-14-22(15-13-21)30-6-3/h7-16,25H,4-6,17-18H2,1-3H3,(H,27,31)