N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c1-9-3-5-12(25-2)15-16(9)27-18(19-15)20-17(22)14-8-10-7-11(21(23)24)4-6-13(10)26-14/h3-8H,1-2H3,(H,19,20,22)