2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 2-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3,5-bis(chloranyl)benzoic acid Openeye Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3,5-dichloro-benzoic acid CAS Name: 2-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-dichlorobenzoic acid IUPAC Name: 2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3,5-dichlorobenzoic acid Traditional Name: 2-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-3,5-dichloro-benzoic acid Formula: C19H11BrCl2N2O3S MolecularWeight: 498.17724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C19H11BrCl2N2O3S/c20-14-6-2-3-10-11(14)4-1-5-12(10)17(25)24-19(28)23-16-13(18(26)27)7-9(21)8-15(16)22/h1-8H,(H,26,27)(H2,23,24,25,28)