1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-3-nitro-phenyl]ethanone Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11(18-19-14-6-4-5-7-17(14)25-18)20(3)15-9-8-13(12(2)22)10-16(15)21(23)24/h4-11H,1-3H3/t11-/m1/s1