(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C19H20BrN3OS MolecularWeight: 418.3506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N(C)CC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)N(C)CC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C19H20BrN3OS/c1-12-8-9-15(14(20)10-12)22-19(24)13(2)23(3)11-18-21-16-6-4-5-7-17(16)25-18/h4-10,13H,11H2,1-3H3,(H,22,24)/t13-/m0/s1