2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)acetamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-20(11-17-19-14-7-2-3-8-15(14)25-17)10-16(22)18-12-5-4-6-13(9-12)21(23)24/h2-9H,10-11H2,1H3,(H,18,22)