N-(1,3-benzothiazol-2-ylmethyl)-4-bromanyl-N-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O3S/c1-19(9-15-18-12-4-2-3-5-14(12)24-15)16(21)10-6-7-11(17)13(8-10)20(22)23/h2-8H,9H2,1H3