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

Systemtic Name: N-(cyanomethyl)-2-[4-[4-[(cyclopropylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-[(cyclopropylamino)methyl]phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-[(cyclopropylamino)methyl]phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-[(cyclopropylamino)methyl]phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-[(cyclopropylamino)methyl]phenyl]phenyl]thio]-4-methyl-valeramide Formula: C24H29N3OS MolecularWeight: 407.57156

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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)CNC3CC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC3CC3

InChI

InChI=1S/C24H29N3OS/c1-17(2)15-23(24(28)26-14-13-25)29-22-11-7-20(8-12-22)19-5-3-18(4-6-19)16-27-21-9-10-21/h3-8,11-12,17,21,23,27H,9-10,14-16H2,1-2H3,(H,26,28)