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

Systemtic Name: 2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-propyl-acetamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-3-11-21-18(24)13-26-20-22-17-10-5-4-9-16(17)19(25)23(20)15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,21,24)