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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-methylcyclohexyl)acetamide Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C22H30ClN3O2S/c1-14(2)10-11-26-21(28)18-9-6-16(23)12-19(18)25-22(26)29-13-20(27)24-17-7-4-15(3)5-8-17/h6,9,12,14-15,17H,4-5,7-8,10-11,13H2,1-3H3,(H,24,27)