3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)O

InChI

InChI=1S/C20H15BrN2O3S/c1-11-12(19(25)26)5-4-10-17(11)22-20(27)23-18(24)15-8-2-7-14-13(15)6-3-9-16(14)21/h2-10H,1H3,(H,25,26)(H2,22,23,24,27)