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

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-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-[(cyclopentylamino)-oxomethyl]acetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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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)NC4CCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C26H30N4O3S/c1-3-17(2)18-12-14-20(15-13-18)30-24(32)21-10-6-7-11-22(21)28-26(30)34-16-23(31)29-25(33)27-19-8-4-5-9-19/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3,(H2,27,29,31,33)