4-chloranyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 4-chloro-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoate Formula: C17H12ClN2O3S- MolecularWeight: 359.80678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-13-8-7-12(16(22)23)10-14(13)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/p-1/b9-6+