(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide Openeye Name: (2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H22ClN3O3S/c1-12(2)25-20(27)15-10-9-14(22)11-17(15)24-21(25)29-13(3)19(26)23-16-7-5-6-8-18(16)28-4/h5-13H,1-4H3,(H,23,26)/t13-/m1/s1