methyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H18BrN3O5S MolecularWeight: 516.36442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H18BrN3O5S/c1-30-21(29)15-8-6-14(7-9-15)20(28)24-22(32)26-25-18(27)12-31-17-11-10-13-4-2-3-5-16(13)19(17)23/h2-11H,12H2,1H3,(H,25,27)(H2,24,26,28,32)