N-(4-dimethylaminophenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4OS/c1-29(2)20-14-12-19(13-15-20)26-24(30)17-31-25-21-10-6-7-11-22(21)27-23(28-25)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,30)