5-bromanyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C15H11BrN2O4S MolecularWeight: 395.22784

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H11BrN2O4S/c16-9-3-5-12(11(8-9)14(20)21)17-15(23)18-13(19)6-4-10-2-1-7-22-10/h1-8H,(H,20,21)(H2,17,18,19,23)/b6-4+