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

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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