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

Systemtic Name: N-[4-[(3-chloranyl-4-methoxy-phenyl)sulfanylcarbamoylamino]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methoxy-phenyl)sulfanylcarbamoylamino]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[[[[(3-chloro-4-methoxyphenyl)thio]amino]-oxomethyl]amino]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methoxyphenyl)sulfanylcarbamoylamino]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[[(3-chloro-4-methoxy-phenyl)thio]carbamoylamino]phenyl]-3-fluoro-benzamide Formula: C21H17ClFN3O3S MolecularWeight: 445.894383

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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=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClFN3O3S/c1-29-19-10-9-17(12-18(19)22)30-26-21(28)25-16-7-5-15(6-8-16)24-20(27)13-3-2-4-14(23)11-13/h2-12H,1H3,(H,24,27)(H2,25,26,28)