N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-chloranyl-4-methylsulfanyl-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methylsulfanyl-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(methylthio)anilino]-sulfanylidenemethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylsulfanylphenyl)carbamothioylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(methylthio)phenyl]thiocarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O2S2 MolecularWeight: 475.986563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=S)NC3=CC(=C(C=C3)SC)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=S)NC3=CC(=C(C=C3)SC)Cl

InChI

InChI=1S/C22H19ClFN3O2S2/c1-29-19-12-14(25-21(28)15-5-3-4-6-17(15)24)7-9-18(19)27-22(30)26-13-8-10-20(31-2)16(23)11-13/h3-12H,1-2H3,(H,25,28)(H2,26,27,30)