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

Systemtic Name: N-(2,5-dimethylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H23N3S MolecularWeight: 361.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3S/c1-16-10-11-17(2)19(15-16)23-22(26)25-14-13-24-12-6-9-20(24)21(25)18-7-4-3-5-8-18/h3-12,15,21H,13-14H2,1-2H3,(H,23,26)