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

Systemtic Name: N-(butylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(butylcarbamoyl)acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(butylcarbamoyl)acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C18H22N4O3S/c1-3-5-10-19-17(25)21-15(23)12-26-18-20-14-9-7-6-8-13(14)16(24)22(18)11-4-2/h4,6-9H,2-3,5,10-12H2,1H3,(H2,19,21,23,25)