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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzamide Formula: C27H19ClFN3O2S MolecularWeight: 503.975063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C27H19ClFN3O2S/c28-23-16-22(13-14-24(23)29)30-26(34)20-7-4-8-21(15-20)31-27(35)32-25(33)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16H,(H,30,34)(H2,31,32,33,35)