(2R)-N-(4-azanylbutyl)-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]-3-phenyl-propanamide

Systemtic Name: (2R)-N-(4-azanylbutyl)-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]-3-phenyl-propanamide Openeye Name: (2R)-N-(4-aminobutyl)-2-[2-(m-tolylimino)-4-phenyl-thiazol-3-yl]-3-phenyl-propanamide CAS Name: (2R)-N-(4-aminobutyl)-2-[2-(3-methylphenyl)imino-4-phenyl-3-thiazolyl]-3-phenylpropanamide IUPAC Name: (2R)-N-(4-aminobutyl)-2-[2-(3-methylphenyl)imino-4-phenyl-1,3-thiazol-3-yl]-3-phenylpropanamide Traditional Name: (2R)-N-(4-aminobutyl)-2-[2-(m-tolylimino)-4-phenyl-4-thiazolin-3-yl]-3-phenyl-propionamide Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)NCCCCN

Isomeric SMILES

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=CC=C3)[C@H](CC4=CC=CC=C4)C(=O)NCCCCN

InChI

InChI=1S/C29H32N4OS/c1-22-11-10-16-25(19-22)32-29-33(27(21-35-29)24-14-6-3-7-15-24)26(20-23-12-4-2-5-13-23)28(34)31-18-9-8-17-30/h2-7,10-16,19,21,26H,8-9,17-18,20,30H2,1H3,(H,31,34)/t26-/m1/s1