N-(2,3-dimethylphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-(2,3-dimethylphenyl)acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3OS/c1-17-9-8-14-21(18(17)2)27-24(29)16-30-25-20-12-6-7-13-22(20)26-23(28-25)15-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,27,29)