N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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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)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClN3O2S/c28-20-10-8-18(9-11-20)16-24-30-22-17-21(12-13-23(22)33-24)29-26(34)31-25(32)27(14-4-5-15-27)19-6-2-1-3-7-19/h1-3,6-13,17H,4-5,14-16H2,(H2,29,31,32,34)