(2S)-2-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O3S/c1-4-8-21-17(26)12(3)22-16(25)11-28-19-23-15-7-6-13(20)10-14(15)18(27)24(19)9-5-2/h5-7,10,12H,2,4,8-9,11H2,1,3H3,(H,21,26)(H,22,25)/t12-/m0/s1