N-[(4-acetamidophenyl)carbamothioyl]-5-bromanyl-2-hexoxy-benzamide

Systemtic Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[(4-acetamidoanilino)-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[(4-acetamidophenyl)carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[(4-acetamidophenyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H26BrN3O3S/c1-3-4-5-6-13-29-20-12-7-16(23)14-19(20)21(28)26-22(30)25-18-10-8-17(9-11-18)24-15(2)27/h7-12,14H,3-6,13H2,1-2H3,(H,24,27)(H2,25,26,28,30)