N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-(4-tert-amylphenoxy)phenyl]-5-nitro-thiophene-2-carboxamide Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O4S/c1-4-22(2,3)15-5-9-17(10-6-15)28-18-11-7-16(8-12-18)23-21(25)19-13-14-20(29-19)24(26)27/h5-14H,4H2,1-3H3,(H,23,25)