methyl 4-[2-[(3-bromophenyl)carbamothioylamino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[(3-bromophenyl)carbamothioylamino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[(3-bromophenyl)carbamothioylamino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-bromophenyl)carbamothioylamino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(3-bromophenyl)thiocarbamoylamino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-23-16(22)11-5-7-14(8-6-11)24-10-15(21)20-17(25)19-13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H2,19,20,21,25)