(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(m-tolyl)propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-4-10-25-20(27)17-12-15(22)8-9-18(17)24-21(25)28-14(3)19(26)23-16-7-5-6-13(2)11-16/h4-9,11-12,14H,1,10H2,2-3H3,(H,23,26)/t14-/m0/s1