N-aminocarbonyl-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-aminocarbonyl-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-carbamoyl-acetamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-carbamoylacetamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylacetamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-carbamoyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-2-3-6-14-9-11-15(12-10-14)25-19(27)16-7-4-5-8-17(16)23-21(25)29-13-18(26)24-20(22)28/h4-5,7-12H,2-3,6,13H2,1H3,(H3,22,24,26,28)