dimethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H17BrN2O5S MolecularWeight: 501.34978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)OC

InChI

InChI=1S/C22H17BrN2O5S/c1-29-20(27)12-9-13(21(28)30-2)11-14(10-12)24-22(31)25-19(26)17-7-3-6-16-15(17)5-4-8-18(16)23/h3-11H,1-2H3,(H2,24,25,26,31)