methyl 4-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-phenethyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-bromo-4-phenethyloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-phenethyloxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C24H21BrN2O4S MolecularWeight: 513.40354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H21BrN2O4S/c1-30-23(29)17-7-10-19(11-8-17)26-24(32)27-22(28)18-9-12-21(20(25)15-18)31-14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H2,26,27,28,32)