2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]-N-propyl-acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=NC2=C1C=C(C=C2)CC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=NC2=C1C=C(C=C2)CC)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H25N3OS/c1-4-11-23-20(26)14-27-22-18-13-16(5-2)9-10-19(18)24-21(25-22)17-8-6-7-15(3)12-17/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,23,26)