2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C20H26ClN3O2S/c1-5-10-24-19(26)16-11-15(21)8-9-17(16)23-20(24)27-12-18(25)22-14(4)7-6-13(2)3/h5,8-9,11,13-14H,1,6-7,10,12H2,2-4H3,(H,22,25)/t14-/m0/s1