3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3-chloranyl-4-fluoranyl-phenyl)benzamide

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3-chloranyl-4-fluoranyl-phenyl)benzamide Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3-chloro-4-fluorophenyl)benzamide Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C25H23ClFN3O2S MolecularWeight: 483.985423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C25H23ClFN3O2S/c1-25(2,3)17-9-7-15(8-10-17)22(31)30-24(33)29-18-6-4-5-16(13-18)23(32)28-19-11-12-21(27)20(26)14-19/h4-14H,1-3H3,(H,28,32)(H2,29,30,31,33)