N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-21(11-16-20-14-7-2-3-8-15(14)27-16)17(23)10-19-18(24)12-5-4-6-13(9-12)22(25)26/h2-9H,10-11H2,1H3,(H,19,24)