2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-iodophenyl)acetamide CAS Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-iodophenyl)acetamide Traditional Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-iodophenyl)acetamide Formula: C18H18IN3OS MolecularWeight: 451.32449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C18H18IN3OS/c1-12(18-21-15-8-3-4-9-16(15)24-18)22(2)11-17(23)20-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,23)/t12-/m0/s1