N-(4-acetamidophenyl)-2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]propionamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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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=C2SC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C29H29ClN4O3S/c1-5-17(2)20-6-13-24(14-7-20)34-28(37)25-15-8-21(30)16-26(25)33-29(34)38-18(3)27(36)32-23-11-9-22(10-12-23)31-19(4)35/h6-18H,5H2,1-4H3,(H,31,35)(H,32,36)