N-(1,3-benzothiazol-2-yl)-4-bromanyl-N-ethyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-bromanyl-N-ethyl-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-bromo-N-ethyl-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-bromo-N-ethyl-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-bromo-N-ethyl-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-bromo-N-ethyl-3-nitro-benzamide Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O3S/c1-2-19(16-18-12-5-3-4-6-14(12)24-16)15(21)10-7-8-11(17)13(9-10)20(22)23/h3-9H,2H2,1H3