2-[3-[3-(2-carbamimidoyl-1,3-thiazol-4-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[3-[3-(2-carbamimidoyl-1,3-thiazol-4-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[3-[3-(2-carbamimidoylthiazol-4-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-[3-(2-carbamimidoyl-4-thiazolyl)phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-[3-(2-carbamimidoyl-1,3-thiazol-4-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-[3-(2-amidinothiazol-4-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)C(=N)N)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)C3=CSC(=N3)C(=N)N)C(=O)NCC#N

InChI

InChI=1S/C24H25N5OS/c1-15(2)11-20(23(30)28-10-9-25)18-7-3-5-16(12-18)17-6-4-8-19(13-17)21-14-31-24(29-21)22(26)27/h3-8,12-15,20H,10-11H2,1-2H3,(H3,26,27)(H,28,30)