2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-3-14(4-2)23-19(26)13-28-21-24-17-11-7-5-9-15(17)20(27)25(21)18-12-8-6-10-16(18)22/h5-12,14H,3-4,13H2,1-2H3,(H,23,26)