2-[4-[(5-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-sulfanylidene-pentanamide

Systemtic Name: 2-[4-[(5-chloranyl-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-sulfanylidene-pentanamide Openeye Name: 2-[4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-thioxo-pentanamide CAS Name: 2-[4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-sulfanylidenepentanamide IUPAC Name: 2-[4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-sulfanylidenepentanamide Traditional Name: 2-[4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-cyano-N-cycloheptyl-3-thioxo-valeramide Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C(C#N)(C(=O)NC1CCCCCC1)OC2=CC=C(C=C2)OC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCC(=S)C(C#N)(C(=O)NC1CCCCCC1)OC2=CC=C(C=C2)OC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C26H26ClN3O4S/c1-2-23(35)26(16-28,24(31)29-18-7-5-3-4-6-8-18)34-20-12-10-19(11-13-20)32-25-30-21-15-17(27)9-14-22(21)33-25/h9-15,18H,2-8H2,1H3,(H,29,31)