3-[(4-tert-butylphenyl)methylsulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanylcarbamoylamino]-2-fluoranyl-4-phenyl-benzamide Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanylcarbamoylamino]-2-fluoro-4-phenyl-benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)methylthio]amino]-oxomethyl]amino]-2-fluoro-4-phenylbenzamide IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanylcarbamoylamino]-2-fluoro-4-phenylbenzamide Traditional Name: 3-[[(4-tert-butylbenzyl)thio]carbamoylamino]-2-fluoro-4-phenyl-benzamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSNC(=O)NC2=C(C=CC(=C2F)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C25H26FN3O2S/c1-25(2,3)18-11-9-16(10-12-18)15-32-29-24(31)28-22-19(17-7-5-4-6-8-17)13-14-20(21(22)26)23(27)30/h4-14H,15H2,1-3H3,(H2,27,30)(H2,28,29,31)