ethyl 4-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-propoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-propoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br

InChI

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