2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-2-yl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-methylbutyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1-methylbutyl)acetamide Formula: C20H28ClN3O2S MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C20H28ClN3O2S/c1-5-6-14(4)22-18(25)12-27-20-23-17-11-15(21)7-8-16(17)19(26)24(20)10-9-13(2)3/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,22,25)