2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-phenylethyl]acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)25-20(27)17-10-9-16(22)11-18(17)24-21(25)28-12-19(26)23-14(3)15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H,23,26)/t14-/m1/s1