4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzamide

Systemtic Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzamide Openeye Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzamide CAS Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitrobenzamide IUPAC Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitrobenzamide Traditional Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-19(9-15-18-11-4-2-3-5-14(11)24-15)12-7-6-10(16(17)21)8-13(12)20(22)23/h2-8H,9H2,1H3,(H2,17,21)