2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(2S)-2-phenylbutyl]acetamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O2S/c1-4-16(17-8-6-5-7-9-17)13-25-21(28)14-30-23-26-20-12-18(24)10-11-19(20)22(29)27(23)15(2)3/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,28)/t16-/m1/s1