N-(butylcarbamoyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(butylcarbamoyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(butylcarbamoyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(butylcarbamoyl)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCC

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCC

InChI

InChI=1S/C20H28N4O3S/c1-4-6-12-21-19(27)23-17(25)14(3)28-20-22-16-11-9-8-10-15(16)18(26)24(20)13-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H2,21,23,25,27)