5-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-hexoxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-hexoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H31BrN2O3S MolecularWeight: 555.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H31BrN2O3S/c1-2-3-4-8-18-33-24-14-12-23(13-15-24)30-28(35)31-27(32)25-20-22(29)11-16-26(25)34-19-17-21-9-6-5-7-10-21/h5-7,9-16,20H,2-4,8,17-19H2,1H3,(H2,30,31,32,35)