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

Systemtic Name: N-(2,6-diethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2,6-diethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2,6-diethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C25H29N3OS MolecularWeight: 419.58226

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3OS/c1-4-18-8-6-9-19(5-2)23(18)26-25(30)28-17-16-27-15-7-10-22(27)24(28)20-11-13-21(29-3)14-12-20/h6-15,24H,4-5,16-17H2,1-3H3,(H,26,30)