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

Systemtic Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-12(18-20-15-8-3-4-9-16(15)26-18)21(2)11-17(23)19-13-6-5-7-14(10-13)22(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)/t12-/m1/s1