4-[[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]carbamoyl]-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 4-[[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]carbamoyl]-N,N-dipropyl-benzenesulfonamide Openeye Name: 4-[[(6-bromo-4-phenyl-quinazolin-2-yl)amino]carbamoyl]-N,N-dipropyl-benzenesulfonamide CAS Name: 4-[[(6-bromo-4-phenyl-2-quinazolinyl)hydrazo]-oxomethyl]-N,N-dipropylbenzenesulfonamide IUPAC Name: 4-[[(6-bromo-4-phenylquinazolin-2-yl)amino]carbamoyl]-N,N-dipropylbenzenesulfonamide Traditional Name: 4-[[(6-bromo-4-phenyl-quinazolin-2-yl)amino]carbamoyl]-N,N-dipropyl-benzenesulfonamide Formula: C27H28BrN5O3S MolecularWeight: 582.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C27H28BrN5O3S/c1-3-16-33(17-4-2)37(35,36)22-13-10-20(11-14-22)26(34)31-32-27-29-24-15-12-21(28)18-23(24)25(30-27)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,31,34)(H,29,30,32)