N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C23H15ClN4O3S MolecularWeight: 462.9082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H15ClN4O3S/c1-12-9-10-13(22-25-15-6-2-3-7-16(15)26-22)11-17(12)27-23(29)21-19(24)14-5-4-8-18(28(30)31)20(14)32-21/h2-11H,1H3,(H,25,26)(H,27,29)