methyl 2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-3-4-11-27-17-10-9-13(12-15(17)21)18(24)23-20(28)22-16-8-6-5-7-14(16)19(25)26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,28)