N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-fluoro-benzamide Formula: C16H11ClFN3O2S2 MolecularWeight: 395.858843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)F)Cl

InChI

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