N-[4-[(3-bromanyl-4-methoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-bromanyl-4-methoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-bromo-4-methoxy-phenyl)sulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[(3-bromo-4-methoxyphenyl)thio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-bromo-4-methoxyphenyl)sulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[(3-bromo-4-methoxy-phenyl)thio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H17BrFN3O3S MolecularWeight: 490.345383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)SNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Br

InChI

InChI=1S/C21H17BrFN3O3S/c1-29-19-11-10-15(12-17(19)22)30-26-21(28)25-14-8-6-13(7-9-14)24-20(27)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,24,27)(H2,25,26,28)