N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2,3-dimethoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2,3-dimethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2,3-dimethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[(2-benzo[e][1,3]benzothiazolylamino)-oxomethyl]-2,3-dimethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2,3-dimethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2,3-dimethoxy-phenyl]thiophene-2-carboxamide Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC(=C1OC)NC(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C25H19N3O4S2/c1-31-18-13-15(12-17(22(18)32-2)26-24(30)20-8-5-11-33-20)23(29)28-25-27-21-16-7-4-3-6-14(16)9-10-19(21)34-25/h3-13H,1-2H3,(H,26,30)(H,27,28,29)