5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C22H17BrClN3O4S MolecularWeight: 534.81008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrClN3O4S/c23-15-6-9-20(31-11-10-14-4-2-1-3-5-14)17(12-15)21(28)26-22(32)25-18-8-7-16(24)13-19(18)27(29)30/h1-9,12-13H,10-11H2,(H2,25,26,28,32)