N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H12BrClN2O4S MolecularWeight: 515.76368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H12BrClN2O4S/c23-13-5-7-18(16(11-13)21(27)15-3-1-2-4-17(15)24)25-22(28)20-10-12-9-14(26(29)30)6-8-19(12)31-20/h1-11H,(H,25,28)