2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-phenylethyl]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-3-11-25-20(27)17-12-16(22)9-10-18(17)24-21(25)28-13-19(26)23-14(2)15-7-5-4-6-8-15/h3-10,12,14H,1,11,13H2,2H3,(H,23,26)/t14-/m1/s1