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

Systemtic Name: N-(cyanomethyl)-2-[4-[4-[(dicyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-[(dicyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[(dicyclopentylamino)methyl]phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-[(dicyclopentylamino)methyl]phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[(dicyclopentylamino)methyl]phenyl]phenyl]thio]-4-methyl-valeramide Formula: C31H41N3OS MolecularWeight: 503.74174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3CCCC3)C4CCCC4

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3CCCC3)C4CCCC4

InChI

InChI=1S/C31H41N3OS/c1-23(2)21-30(31(35)33-20-19-32)36-29-17-15-26(16-18-29)25-13-11-24(12-14-25)22-34(27-7-3-4-8-27)28-9-5-6-10-28/h11-18,23,27-28,30H,3-10,20-22H2,1-2H3,(H,33,35)