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

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-propan-2-yl-propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-isopropyl-propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-isopropyl-propionamide Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2S/c1-5-8-21-16(23)13-9-12(18)6-7-14(13)20-17(21)24-11(4)15(22)19-10(2)3/h5-7,9-11H,1,8H2,2-4H3,(H,19,22)/t11-/m0/s1