2-[3-(2,5-dimethylphenyl)-5-nitro-1-benzothiophen-2-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-5-nitro-1-benzothiophen-2-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-(2,5-dimethylphenyl)-5-nitro-benzothiophen-2-yl]-N-phenyl-acetamide CAS Name: 2-[3-(2,5-dimethylphenyl)-5-nitro-1-benzothiophen-2-yl]-N-phenylacetamide IUPAC Name: 2-[3-(2,5-dimethylphenyl)-5-nitro-1-benzothiophen-2-yl]-N-phenylacetamide Traditional Name: 2-[3-(2,5-dimethylphenyl)-5-nitro-benzothiophen-2-yl]-N-phenyl-acetamide Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-15-8-9-16(2)19(12-15)24-20-13-18(26(28)29)10-11-21(20)30-22(24)14-23(27)25-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,27)