ethyl 4-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-tert-butyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-tert-butyl-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23BrN2O3S MolecularWeight: 463.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-5-27-19(26)13-6-9-15(10-7-13)23-20(28)24-18(25)14-8-11-16(17(22)12-14)21(2,3)4/h6-12H,5H2,1-4H3,(H2,23,24,25,28)