(2S)-2-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC

InChI

InChI=1S/C19H25ClN4O3S/c1-4-8-21-17(26)12(3)22-16(25)11-28-19-23-15-10-13(20)6-7-14(15)18(27)24(19)9-5-2/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,21,26)(H,22,25)/t12-/m0/s1