5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole Openeye Name: 5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole CAS Name: 5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole IUPAC Name: 5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole Traditional Name: 5-(1,4-diazepan-1-yl)-2-methyl-6-nitro-1,3-benzothiazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCCNCC3

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])N3CCCNCC3

InChI

InChI=1S/C13H16N4O2S/c1-9-15-10-7-11(16-5-2-3-14-4-6-16)12(17(18)19)8-13(10)20-9/h7-8,14H,2-6H2,1H3