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

Systemtic Name: (2R)-2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-4-11-23-19(26)14(3)28-21-24-17-12-15(22)9-10-16(17)20(27)25(21)18-8-6-5-7-13(18)2/h4-10,12,14H,1,11H2,2-3H3,(H,23,26)/t14-/m1/s1