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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-isopropyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-13(2)22-19(25)12-27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3,(H,22,25)