N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Formula: C29H31BrN4O4S MolecularWeight: 611.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C29H31BrN4O4S/c1-5-18-6-15-24(23(30)16-18)38-17-25(35)32-28(39)34-33-27(37)20-9-13-22(14-10-20)31-26(36)19-7-11-21(12-8-19)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,31,36)(H,33,37)(H2,32,34,35,39)