2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-6-16(2)17-11-13-18(14-12-17)29-22(31)19-9-7-8-10-20(19)26-24(29)33-15-21(30)27-23(32)28-25(3,4)5/h7-14,16H,6,15H2,1-5H3,(H2,27,28,30,32)