(2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(m-tolyl)propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-12(2)25-20(27)17-9-8-15(22)11-18(17)24-21(25)28-14(4)19(26)23-16-7-5-6-13(3)10-16/h5-12,14H,1-4H3,(H,23,26)/t14-/m0/s1