N-[2,6-di(propan-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2,6-diisopropylphenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2,6-diisopropylphenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c1-12(2)16-6-5-7-17(13(3)4)20(16)22-21(24)19-11-14-10-15(23(25)26)8-9-18(14)27-19/h5-13H,1-4H3,(H,22,24)