1-(azepan-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3S2/c19-14(17-7-3-1-2-4-8-17)10-22-15-16-12-6-5-11(18(20)21)9-13(12)23-15/h5-6,9H,1-4,7-8,10H2