N-(3-chloranyl-2-methyl-phenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN3C=CC=C3C2C4=CC=C(C=C4)OC

InChI

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