methyl 2-[(5-bromanyl-2-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(5-bromanyl-2-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(5-bromo-2-hexoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(5-bromo-2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-hexoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(5-bromo-2-hexoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H25BrN2O4S/c1-3-4-5-8-13-29-19-12-11-15(23)14-17(19)20(26)25-22(30)24-18-10-7-6-9-16(18)21(27)28-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H2,24,25,26,30)