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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC=C

InChI

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