N-[(3-acetamidophenyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-3-25-16-8-7-12(9-15(16)19)17(24)22-18(26)21-14-6-4-5-13(10-14)20-11(2)23/h4-10H,3H2,1-2H3,(H,20,23)(H2,21,22,24,26)