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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H13ClFN3OS2 MolecularWeight: 441.928823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C21H13ClFN3OS2/c22-16-10-9-14(11-15(16)20-25-17-3-1-2-4-18(17)29-20)24-21(28)26-19(27)12-5-7-13(23)8-6-12/h1-11H,(H2,24,26,27,28)