ethyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-pyridyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16BrN3O2S2 MolecularWeight: 462.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C19H16BrN3O2S2/c1-2-25-18(24)14-10-15(12-6-4-3-5-7-12)27-17(14)23-19(26)22-16-9-8-13(20)11-21-16/h3-11H,2H2,1H3,(H2,21,22,23,26)