3-chloranyl-N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C16H11ClFN3O2S2 MolecularWeight: 395.858843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C16H11ClFN3O2S2/c1-23-12-5-2-8(6-10(12)17)14(22)20-15(24)21-16-19-11-4-3-9(18)7-13(11)25-16/h2-7H,1H3,(H2,19,20,21,22,24)