ethyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-bromanylfuran-2-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(5-bromofuran-2-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(5-bromo-2-furoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H18BrN3O4S2 MolecularWeight: 508.40862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H18BrN3O4S2/c1-2-27-19(26)14-11-13(10-12-6-4-3-5-7-12)30-18(14)22-20(29)24-23-17(25)15-8-9-16(21)28-15/h3-9,11H,2,10H2,1H3,(H,23,25)(H2,22,24,29)