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

Systemtic Name: propyl 4-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-tert-butyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-tert-butyl-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3S/c1-5-12-28-20(27)14-6-9-16(10-7-14)24-21(29)25-19(26)15-8-11-17(18(23)13-15)22(2,3)4/h6-11,13H,5,12H2,1-4H3,(H2,24,25,26,29)