N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H15ClFN3O2S2 MolecularWeight: 459.944103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CS2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H15ClFN3O2S2/c22-17-12-15(6-8-18(17)23)24-20(28)13-3-1-4-14(11-13)25-21(29)26-19(27)9-7-16-5-2-10-30-16/h1-12H,(H,24,28)(H2,25,26,27,29)/b9-7+