methyl 4-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H18BrN3O5S MolecularWeight: 480.33232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H18BrN3O5S/c1-11-9-14(20)7-8-15(11)28-10-16(24)22-23-19(29)21-17(25)12-3-5-13(6-4-12)18(26)27-2/h3-9H,10H2,1-2H3,(H,22,24)(H2,21,23,25,29)