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

Systemtic Name: ethyl 4-[(3-bromanyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromo-4-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-3-24-17(23)12-6-8-14(9-7-12)20-18(25)21-16(22)13-5-4-11(2)15(19)10-13/h4-10H,3H2,1-2H3,(H2,20,21,22,25)