N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H20ClN3O2S/c1-13(14-6-8-15(22)9-7-14)23-19(26)12-28-21-24-18-5-3-2-4-17(18)20(27)25(21)16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H,23,26)/t13-/m1/s1