methyl 2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-bromophenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[(4-bromophenyl)sulfonylamino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(brosylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H18BrN3O4S3 MolecularWeight: 540.47362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O4S3/c1-28-19(25)17-12-15(11-13-5-3-2-4-6-13)30-18(17)22-20(29)23-24-31(26,27)16-9-7-14(21)8-10-16/h2-10,12,24H,11H2,1H3,(H2,22,23,29)