N-[4-[[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[(3-bromo-4-hexoxy-benzoyl)amino]carbamoyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[(3-bromo-4-hexoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[(3-bromo-4-hexoxy-benzoyl)amino]carbamoyl]phenyl]-4-tert-butyl-benzamide Formula: C31H36BrN3O4 MolecularWeight: 594.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C31H36BrN3O4/c1-5-6-7-8-19-39-27-18-13-23(20-26(27)32)30(38)35-34-29(37)22-11-16-25(17-12-22)33-28(36)21-9-14-24(15-10-21)31(2,3)4/h9-18,20H,5-8,19H2,1-4H3,(H,33,36)(H,34,37)(H,35,38)