(2S)-N-(4-azanylbutyl)-4-methyl-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]pentanamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-4-methyl-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]pentanamide Openeye Name: (2S)-N-(4-aminobutyl)-4-methyl-2-[2-(m-tolylimino)-4-phenyl-thiazol-3-yl]pentanamide CAS Name: (2S)-N-(4-aminobutyl)-4-methyl-2-[2-(3-methylphenyl)imino-4-phenyl-3-thiazolyl]pentanamide IUPAC Name: (2S)-N-(4-aminobutyl)-4-methyl-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]pentanamide Traditional Name: (2S)-N-(4-aminobutyl)-4-methyl-2-[2-(m-tolylimino)-4-phenyl-4-thiazolin-3-yl]valeramide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=CC=C3)C(CC(C)C)C(=O)NCCCCN

Isomeric SMILES

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=CC=C3)[C@@H](CC(C)C)C(=O)NCCCCN

InChI

InChI=1S/C26H34N4OS/c1-19(2)16-23(25(31)28-15-8-7-14-27)30-24(21-11-5-4-6-12-21)18-32-26(30)29-22-13-9-10-20(3)17-22/h4-6,9-13,17-19,23H,7-8,14-16,27H2,1-3H3,(H,28,31)/t23-/m0/s1