2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dimethylcyclohexyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(2,3-dimethylcyclohexyl)propionamide Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C22H30ClN3O3S/c1-13-6-5-7-18(14(13)2)24-20(27)15(3)30-22-25-19-12-16(23)8-9-17(19)21(28)26(22)10-11-29-4/h8-9,12-15,18H,5-7,10-11H2,1-4H3,(H,24,27)