(2R)-N-(4-chlorophenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-chlorophenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(4-chlorophenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-chlorophenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(4-chlorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(4-chlorophenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

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