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

Systemtic Name: 3-[(3-chloranyl-4-cyclohexylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-[(3-chloro-4-cyclohexylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[[[3-chloro-4-(cyclohexylthio)phenyl]thio]amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-[(3-chloro-4-cyclohexylsulfanylphenyl)sulfanylcarbamoylamino]-2-fluoro-4-phenylbenzamide Traditional Name: 3-[[[3-chloro-4-(cyclohexylthio)phenyl]thio]carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C26H25ClFN3O2S2 MolecularWeight: 530.077003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)SNC(=O)NC3=C(C=CC(=C3F)C(=O)N)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)SNC(=O)NC3=C(C=CC(=C3F)C(=O)N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H25ClFN3O2S2/c27-21-15-18(11-14-22(21)34-17-9-5-2-6-10-17)35-31-26(33)30-24-19(16-7-3-1-4-8-16)12-13-20(23(24)28)25(29)32/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H2,29,32)(H2,30,31,33)