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

Systemtic Name: methyl 2-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3-bromo-4-propoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3-bromo-4-propoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C19H19BrN2O4S/c1-3-10-26-16-9-8-12(11-14(16)20)17(23)22-19(27)21-15-7-5-4-6-13(15)18(24)25-2/h4-9,11H,3,10H2,1-2H3,(H2,21,22,23,27)