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

Systemtic Name: 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S/c1-26-17-11-14-5-3-2-4-13(14)10-16(17)18(23)22-20(27)21-15-8-6-12(7-9-15)19(24)25/h2-11H,1H3,(H,24,25)(H2,21,22,23,27)