N-[(3-benzamidophenyl)carbamothioyl]-5-bromanyl-2-hexoxy-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-5-bromanyl-2-hexoxy-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-5-bromo-2-hexoxybenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O3S/c1-2-3-4-8-16-34-24-15-14-20(28)17-23(24)26(33)31-27(35)30-22-13-9-12-21(18-22)29-25(32)19-10-6-5-7-11-19/h5-7,9-15,17-18H,2-4,8,16H2,1H3,(H,29,32)(H2,30,31,33,35)