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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzothiophene-2-carboxamide Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4S2/c1-16-4-2-5-20-22(16)25-24(34-20)27(9-3-8-26-10-12-32-13-11-26)23(29)21-15-17-14-18(28(30)31)6-7-19(17)33-21/h2,4-7,14-15H,3,8-13H2,1H3