N-(2,6-dimethylphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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