3-chloranyl-4-methoxy-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H15ClN2O4S/c1-25-16-13(19)9-12(17(23)24)10-14(16)20-18(26)21-15(22)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,23,24)(H2,20,21,22,26)/b8-7+