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

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methyl-phenyl)acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,6-dichloro-3-methyl-phenyl)acetamide Formula: C20H17Cl2N3O2S MolecularWeight: 434.33888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)Cl

InChI

InChI=1S/C20H17Cl2N3O2S/c1-3-10-25-19(27)13-6-4-5-7-15(13)23-20(25)28-11-16(26)24-18-14(21)9-8-12(2)17(18)22/h3-9H,1,10-11H2,2H3,(H,24,26)