3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H32BrN3O4S MolecularWeight: 598.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32BrN3O4S/c1-2-3-4-8-18-36-24-14-11-22(12-15-24)28(35)32-33-29(38)31-27(34)23-13-16-26(25(30)20-23)37-19-17-21-9-6-5-7-10-21/h5-7,9-16,20H,2-4,8,17-19H2,1H3,(H,32,35)(H2,31,33,34,38)