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

Systemtic Name: 2-[4-[4-(aminomethyl)phenyl]phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[4-[4-(aminomethyl)phenyl]phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-[4-(aminomethyl)phenyl]phenyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[4-[4-(aminomethyl)phenyl]phenyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-[4-(aminomethyl)phenyl]phenyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H25N3OS MolecularWeight: 367.5077

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-15(2)13-20(21(25)24-12-11-22)26-19-9-7-18(8-10-19)17-5-3-16(14-23)4-6-17/h3-10,15,20H,12-14,23H2,1-2H3,(H,24,25)