N-(4-bromophenyl)-3-chloranyl-N-[(3-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-bromophenyl)-3-chloranyl-N-[(3-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-bromophenyl)-3-chloro-N-[(3-nitrophenyl)methyl]benzothiophene-2-carboxamide CAS Name: N-(4-bromophenyl)-3-chloro-N-[(3-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-bromophenyl)-3-chloro-N-[(3-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-chloro-N-(3-nitrobenzyl)benzothiophene-2-carboxamide Formula: C22H14BrClN2O3S MolecularWeight: 501.78016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C22H14BrClN2O3S/c23-15-8-10-16(11-9-15)25(13-14-4-3-5-17(12-14)26(28)29)22(27)21-20(24)18-6-1-2-7-19(18)30-21/h1-12H,13H2