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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C)C3CCCCC3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C)C3CCCCC3

InChI

InChI=1S/C22H30ClN3O2S/c1-15(2)11-12-26-21(28)18-10-9-16(23)13-19(18)24-22(26)29-14-20(27)25(3)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3