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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C28H31BrN2O3S MolecularWeight: 555.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)Br

InChI

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