N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-phenylquinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-[(4-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[(4-phenylquinazolin-2-yl)thio]acetamide Formula: C27H27N5O4S2 MolecularWeight: 549.66438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4S2/c1-2-3-17-28-26(34)32-38(35,36)21-15-13-20(14-16-21)29-24(33)18-37-27-30-23-12-8-7-11-22(23)25(31-27)19-9-5-4-6-10-19/h4-16H,2-3,17-18H2,1H3,(H,29,33)(H2,28,32,34)