N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C23H21ClFN3O4S MolecularWeight: 489.946943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)Cl)OC

InChI

InChI=1S/C23H21ClFN3O4S/c1-30-19-12-21(32-3)18(11-15(19)24)28-23(33)27-17-9-8-13(10-20(17)31-2)26-22(29)14-6-4-5-7-16(14)25/h4-12H,1-3H3,(H,26,29)(H2,27,28,33)