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

Systemtic Name: ethyl 4-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-3-5-12-28-18-11-8-15(13-17(18)22)19(25)24-21(29)23-16-9-6-14(7-10-16)20(26)27-4-2/h6-11,13H,3-5,12H2,1-2H3,(H2,23,24,25,29)