3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C21H17BrN2O5S/c1-28-16-8-7-12(20(26)27)10-15(16)23-21(30)24-19(25)14-9-11-5-3-4-6-13(11)17(22)18(14)29-2/h3-10H,1-2H3,(H,26,27)(H2,23,24,25,30)