2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-octanethioamide

Systemtic Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-octanethioamide Openeye Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-octanethioamide CAS Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyloctanethioamide IUPAC Name: 2-[1,3-benzoxazol-2-yl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyloctanethioamide Traditional Name: 2-[1,3-benzoxazol-2-yl-(4-chlorobenzyl)amino]-N-cyclohexyl-thiocaprylamide Formula: C28H36ClN3OS MolecularWeight: 498.12294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H36ClN3OS/c1-2-3-4-8-14-25(27(34)30-23-11-6-5-7-12-23)32(20-21-16-18-22(29)19-17-21)28-31-24-13-9-10-15-26(24)33-28/h9-10,13,15-19,23,25H,2-8,11-12,14,20H2,1H3,(H,30,34)