N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyanilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C21H16Cl2FN3O4S2 MolecularWeight: 528.403843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H16Cl2FN3O4S2/c1-31-19-8-5-14(25-21(32)26-20(28)12-3-2-4-13(24)9-12)10-18(19)27-33(29,30)15-6-7-16(22)17(23)11-15/h2-11,27H,1H3,(H2,25,26,28,32)