2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-12(19-21-14-6-4-5-7-17(14)28-19)22(2)11-18(24)20-15-10-13(23(25)26)8-9-16(15)27-3/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m1/s1