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

Systemtic Name: N-[4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]phenyl]-4-fluoro-benzamide Formula: C21H17ClFN3O2S MolecularWeight: 429.894983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H17ClFN3O2S/c1-28-19-11-10-17(12-18(19)22)26-21(29)25-16-8-6-15(7-9-16)24-20(27)13-2-4-14(23)5-3-13/h2-12H,1H3,(H,24,27)(H2,25,26,29)