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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-bromo-2-hexoxy-benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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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)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

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