3-bromanyl-4-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-benzyloxyphenyl)carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[(2-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-benzoxyphenyl)thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H29BrN2O3S/c1-2-3-4-10-17-32-24-16-15-21(18-22(24)28)26(31)30-27(34)29-23-13-8-9-14-25(23)33-19-20-11-6-5-7-12-20/h5-9,11-16,18H,2-4,10,17,19H2,1H3,(H2,29,30,31,34)