3-[3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(5-nitro-1,3-benzothiazol-2-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5-nitro-1,3-benzothiazol-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S2/c22-16-18-12-4-1-2-5-14(12)20(16)8-3-9-25-17-19-13-10-11(21(23)24)6-7-15(13)26-17/h1-2,4-7,10H,3,8-9H2,(H,18,22)