ethyl 4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C22H19BrN2O4S/c1-3-29-21(27)13-8-10-15(11-9-13)24-22(30)25-20(26)17-12-14-6-4-5-7-16(14)18(23)19(17)28-2/h4-12H,3H2,1-2H3,(H2,24,25,26,30)