2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-(4-methylbenzyl)acetamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C28H28ClN3O2S/c1-4-19(3)21-9-12-23(13-10-21)32-27(34)24-14-11-22(29)15-25(24)31-28(32)35-17-26(33)30-16-20-7-5-18(2)6-8-20/h5-15,19H,4,16-17H2,1-3H3,(H,30,33)