3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C19H12BrClN2O3S MolecularWeight: 463.73218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H12BrClN2O3S/c20-14-6-2-3-11-12(14)4-1-5-13(11)17(24)23-19(27)22-16-9-10(18(25)26)7-8-15(16)21/h1-9H,(H,25,26)(H2,22,23,24,27)