N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C)C

InChI

InChI=1S/C24H28ClN3O2S/c1-14(2)10-11-28-23(30)18-8-6-7-9-20(18)26-24(28)31-17(5)22(29)27-21-16(4)12-15(3)13-19(21)25/h6-9,12-14,17H,10-11H2,1-5H3,(H,27,29)