N-(3-chloranyl-2-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-4-12-25-20(27)15-8-5-6-10-18(15)24-21(25)28-14(3)19(26)23-17-11-7-9-16(22)13(17)2/h4-11,14H,1,12H2,2-3H3,(H,23,26)