2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H22ClN3O2S/c1-4-11-26-21(28)18-10-9-17(23)12-19(18)24-22(26)29-14-20(27)25(3)13-16-8-6-5-7-15(16)2/h4-10,12H,1,11,13-14H2,2-3H3