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

Systemtic Name: N-[4-[(3-chloranyl-4-propan-2-yloxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-isopropoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-isopropoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H21ClFN3O2S MolecularWeight: 457.948143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C23H21ClFN3O2S/c1-14(2)30-21-12-11-17(13-19(21)24)28-23(31)27-16-9-7-15(8-10-16)26-22(29)18-5-3-4-6-20(18)25/h3-14H,1-2H3,(H,26,29)(H2,27,28,31)