2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2-fluorophenyl)carbamoyl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2-fluorophenyl)carbamoyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2-fluorophenyl)carbamoyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[(2-fluoroanilino)-oxomethyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2-fluorophenyl)carbamoyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[(2-fluorophenyl)carbamoyl]acetamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O3S/c1-2-3-12-26-19(28)14-8-4-6-10-16(14)24-21(26)30-13-18(27)25-20(29)23-17-11-7-5-9-15(17)22/h4-11H,2-3,12-13H2,1H3,(H2,23,25,27,29)