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

Systemtic Name: N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)Cl

InChI

InChI=1S/C22H19ClFN3O2S/c1-13-7-8-14(11-17(13)23)26-22(30)27-19-10-9-15(12-20(19)29-2)25-21(28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H,25,28)(H2,26,27,30)