4-methoxy-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(naphthalen-1-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 4-methoxy-3-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid CAS Name: 4-methoxy-3-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid Traditional Name: 4-methoxy-3-(1-naphthoylthiocarbamoylamino)benzoic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

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