2-chloranyl-4-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(5-chloro-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(5-chloro-1-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C19H12Cl2N2O3S MolecularWeight: 419.28118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Cl)C(=C1)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=CC=C2Cl)C(=C1)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C19H12Cl2N2O3S/c20-15-6-2-3-11-12(15)4-1-5-13(11)17(24)23-19(27)22-10-7-8-14(18(25)26)16(21)9-10/h1-9H,(H,25,26)(H2,22,23,24,27)