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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-benzyl-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide 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=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC=CC=C3

InChI

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