N-[(2-bromophenyl)methyl]-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2-bromophenyl)methyl]-N-methyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-methylacetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-bromobenzyl)-N-methyl-acetamide Formula: C21H19BrClN3O2S MolecularWeight: 492.81646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19BrClN3O2S/c1-3-10-26-20(28)16-11-15(23)8-9-18(16)24-21(26)29-13-19(27)25(2)12-14-6-4-5-7-17(14)22/h3-9,11H,1,10,12-13H2,2H3