N-(4-benzamido-3-bromanyl-phenyl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-benzamido-3-bromanyl-phenyl)-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-benzamido-3-bromo-phenyl)-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-(4-benzamido-3-bromophenyl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-benzamido-3-bromophenyl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-benzamido-3-bromo-phenyl)-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C22H13BrClN3O4S MolecularWeight: 530.77832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C22H13BrClN3O4S/c23-15-11-13(9-10-16(15)26-21(28)12-5-2-1-3-6-12)25-22(29)20-18(24)14-7-4-8-17(27(30)31)19(14)32-20/h1-11H,(H,25,29)(H,26,28)