N-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-benzoyl-4-bromo-phenyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(2-benzoyl-4-bromoanilino)-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-benzoyl-4-bromophenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-benzoyl-4-bromo-phenyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H14BrClN2O2S2 MolecularWeight: 529.85646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H14BrClN2O2S2/c24-14-10-11-17(16(12-14)20(28)13-6-2-1-3-7-13)26-23(30)27-22(29)21-19(25)15-8-4-5-9-18(15)31-21/h1-12H,(H2,26,27,29,30)