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

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-phenethyloxy-benzamide Formula: C30H26BrN3O4S MolecularWeight: 604.51414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C30H26BrN3O4S/c31-26-19-24(13-16-27(26)37-18-17-21-7-3-1-4-8-21)28(35)32-30(39)34-33-29(36)23-11-14-25(15-12-23)38-20-22-9-5-2-6-10-22/h1-16,19H,17-18,20H2,(H,33,36)(H2,32,34,35,39)