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

Systemtic Name: 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C20H15BrN2O4S/c1-27-17-15(10-11-5-2-3-8-14(11)16(17)21)18(24)23-20(28)22-13-7-4-6-12(9-13)19(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)