N-[(3-benzamidophenyl)carbamothioyl]-3-bromanyl-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromo-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromobenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-3-bromo-benzamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H16BrN3O2S/c22-16-9-4-8-15(12-16)20(27)25-21(28)24-18-11-5-10-17(13-18)23-19(26)14-6-2-1-3-7-14/h1-13H,(H,23,26)(H2,24,25,27,28)