2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

InChI

InChI=1S/C23H27N3O2S/c1-5-17(6-2)24-20(27)14-29-23-25-19-13-8-7-12-18(19)22(28)26(23)21-15(3)10-9-11-16(21)4/h7-13,17H,5-6,14H2,1-4H3,(H,24,27)