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

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-isobutyl-propionamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C18H22ClN3O2S/c1-5-8-22-17(24)14-9-13(19)6-7-15(14)21-18(22)25-12(4)16(23)20-10-11(2)3/h5-7,9,11-12H,1,8,10H2,2-4H3,(H,20,23)/t12-/m0/s1