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

Systemtic Name: (2S)-2-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]-N-ethyl-propionamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-4-8-23-17(26)13-9-12(19)6-7-14(13)22-18(23)27-10-15(24)21-11(3)16(25)20-5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,20,25)(H,21,24)/t11-/m0/s1