N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C26H21BrClN3O2S MolecularWeight: 554.88584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)Br)Cl

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)Br)Cl

InChI

InChI=1S/C26H21BrClN3O2S/c27-17-8-10-20(28)19(14-17)23-30-21-15-18(9-11-22(21)33-23)29-25(34)31-24(32)26(12-4-5-13-26)16-6-2-1-3-7-16/h1-3,6-11,14-15H,4-5,12-13H2,(H2,29,31,32,34)