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

Systemtic Name: 4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 4-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 4-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 4-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C20H14BrClN2O4S MolecularWeight: 493.75816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrClN2O4S/c1-28-17-14(8-10-4-2-3-5-12(10)16(17)21)18(25)24-20(29)23-11-6-7-13(19(26)27)15(22)9-11/h2-9H,1H3,(H,26,27)(H2,23,24,25,29)