3-[(4-carbamothioylphenyl)carbonylamino]-4-(naphthalen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 3-[(4-carbamothioylphenyl)carbonylamino]-4-(naphthalen-2-ylcarbonylamino)benzoic acid Openeye Name: 3-[(4-carbamothioylbenzoyl)amino]-4-(naphthalene-2-carbonylamino)benzoic acid CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-[[2-naphthalenyl(oxo)methyl]amino]benzoic acid IUPAC Name: 3-[(4-carbamothioylbenzoyl)amino]-4-(naphthalene-2-carbonylamino)benzoic acid Traditional Name: 4-(2-naphthoylamino)-3-[(4-thiocarbamoylbenzoyl)amino]benzoic acid Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)C(=S)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C26H19N3O4S/c27-23(34)16-6-8-17(9-7-16)24(30)29-22-14-20(26(32)33)11-12-21(22)28-25(31)19-10-5-15-3-1-2-4-18(15)13-19/h1-14H,(H2,27,34)(H,28,31)(H,29,30)(H,32,33)