2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide Openeye Name: 2-[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]-N-[(cyclopropylamino)-oxomethyl]acetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-(cyclopropylcarbamoyl)acetamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NC(=O)NC4CC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NC(=O)NC4CC4

InChI

InChI=1S/C24H25ClN4O3S/c1-3-14(2)15-4-9-18(10-5-15)29-22(31)19-12-16(25)6-11-20(19)27-24(29)33-13-21(30)28-23(32)26-17-7-8-17/h4-6,9-12,14,17H,3,7-8,13H2,1-2H3,(H2,26,28,30,32)