2-[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: 2-[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: 2-[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]thiazol-2-yl]carbamoyl]benzoate CAS Name: 2-[[[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 2-[[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]thiazol-2-yl]carbamoyl]benzoate Formula: C19H12N5O5S2- MolecularWeight: 454.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H13N5O5S2/c25-16(12-3-1-2-4-13(12)17(26)27)23-18-20-10(8-30-18)9-31-19-21-14-6-5-11(24(28)29)7-15(14)22-19/h1-8H,9H2,(H,21,22)(H,26,27)(H,20,23,25)/p-1