N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N3OS/c1-16-6-7-17(2)20(15-16)24-23(28)26-14-13-25-12-4-5-21(25)22(26)18-8-10-19(27-3)11-9-18/h4-12,15,22H,13-14H2,1-3H3,(H,24,28)