3-[(3-chloranyl-4-ethylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: 3-[(3-chloranyl-4-ethylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-[(3-chloro-4-ethylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[[[3-chloro-4-(ethylthio)phenyl]thio]amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-[(3-chloro-4-ethylsulfanylphenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenylbenzamide Traditional Name: 3-[[[3-chloro-4-(ethylthio)phenyl]thio]carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C22H19ClFN3O2S2 MolecularWeight: 475.986563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CCSC1=C(C=C(C=C1)SNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3)Cl

InChI

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