N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H13N3O3S2/c1-9-3-5-14-16(10(9)2)19-18(26-14)20-17(22)15-8-11-7-12(21(23)24)4-6-13(11)25-15/h3-8H,1-2H3,(H,19,20,22)