N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-3-fluoro-benzamide Formula: C18H13BrFN3O2S2 MolecularWeight: 466.347123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Br

InChI

InChI=1S/C18H13BrFN3O2S2/c1-25-15-6-5-10(8-13(15)19)14-9-27-18(21-14)23-17(26)22-16(24)11-3-2-4-12(20)7-11/h2-9H,1H3,(H2,21,22,23,24,26)