2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(4-methoxy-2-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=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-12(19-21-15-6-4-5-7-17(15)28-19)22(2)11-18(24)20-14-9-8-13(27-3)10-16(14)23(25)26/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1