5-bromanyl-2-butoxy-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]benzamide Formula: C30H33BrN4O4S MolecularWeight: 625.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H33BrN4O4S/c1-5-6-17-39-25-16-13-22(31)18-24(25)28(38)33-29(40)35-34-27(37)20-9-14-23(15-10-20)32-26(36)19-7-11-21(12-8-19)30(2,3)4/h7-16,18H,5-6,17H2,1-4H3,(H,32,36)(H,34,37)(H2,33,35,38,40)