ethyl 4-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-4-28-21(27)15-5-8-17(9-6-15)24-22(30)25-20(26)18-13-16(23)7-10-19(18)29-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H2,24,25,26,30)