N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C22H17ClFN3O3S MolecularWeight: 457.905083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H17ClFN3O3S/c1-30-19-12-13(25-22(31)27-21(29)15-7-3-5-9-17(15)24)10-11-18(19)26-20(28)14-6-2-4-8-16(14)23/h2-12H,1H3,(H,26,28)(H2,25,27,29,31)