2-chloranyl-4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O4S/c1-27-17-9-12-5-3-2-4-11(12)8-15(17)18(24)23-20(28)22-13-6-7-14(19(25)26)16(21)10-13/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)