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

Systemtic Name: N-[4-[(3-chloranyl-4-cyclohexylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-cyclohexylsulfanyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(cyclohexylthio)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-cyclohexylsulfanylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(cyclohexylthio)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C26H25ClFN3OS2 MolecularWeight: 514.077603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C26H25ClFN3OS2/c27-22-16-19(14-15-24(22)34-20-6-2-1-3-7-20)31-26(33)30-18-12-10-17(11-13-18)29-25(32)21-8-4-5-9-23(21)28/h4-5,8-16,20H,1-3,6-7H2,(H,29,32)(H2,30,31,33)