N-(butylcarbamoyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(butylcarbamoyl)acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(butylcarbamoyl)acetamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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