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

Systemtic Name: 4-methoxy-3-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

InChI=1S/C21H18N2O5S/c1-27-17-8-7-14(20(25)26)10-16(17)22-21(29)23-19(24)15-9-12-5-3-4-6-13(12)11-18(15)28-2/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,29)