methyl 3-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H22BrN3O5S MolecularWeight: 508.38548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O5S/c1-12(2)13-7-8-17(16(22)10-13)30-11-18(26)24-25-21(31)23-19(27)14-5-4-6-15(9-14)20(28)29-3/h4-10,12H,11H2,1-3H3,(H,24,26)(H2,23,25,27,31)