3-chloranyl-N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-(3-methylphenoxy)-5-nitro-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-(3-methylphenoxy)-5-nitrophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-(3-methylphenoxy)-5-nitrophenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-(3-methylphenoxy)-5-nitro-phenyl]benzothiophene-2-carboxamide Formula: C22H15ClN2O4S MolecularWeight: 438.8835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H15ClN2O4S/c1-13-5-4-6-16(9-13)29-17-11-14(10-15(12-17)25(27)28)24-22(26)21-20(23)18-7-2-3-8-19(18)30-21/h2-12H,1H3,(H,24,26)