N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H13N3O3S2 MolecularWeight: 431.48692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O3S2/c26-21(20-12-13-11-14(25(27)28)9-10-18(13)29-20)23-16-6-2-1-5-15(16)22-24-17-7-3-4-8-19(17)30-22/h1-12H,(H,23,26)