N-(cyanomethyl)-2-[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[(cyclopentylamino)methyl]phenyl]phenyl]thio]-4-methyl-valeramide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC3CCCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC3CCCC3

InChI

InChI=1S/C26H33N3OS/c1-19(2)17-25(26(30)28-16-15-27)31-24-13-11-22(12-14-24)21-9-7-20(8-10-21)18-29-23-5-3-4-6-23/h7-14,19,23,25,29H,3-6,16-18H2,1-2H3,(H,28,30)