3-[[4-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[4-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[4-(furan-2-carbonylamino)phenyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[4-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-(furan-2-carbonylamino)phenyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-(2-furoylamino)phenyl]thiocarbamoylamino]benzoic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C19H15N3O4S/c23-17(16-5-2-10-26-16)20-13-6-8-14(9-7-13)21-19(27)22-15-4-1-3-12(11-15)18(24)25/h1-11H,(H,20,23)(H,24,25)(H2,21,22,27)