5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H28BrN3O4S/c1-17-9-11-22(15-18(17)2)35-19(3)25(32)30-31-27(36)29-26(33)23-16-21(28)10-12-24(23)34-14-13-20-7-5-4-6-8-20/h4-12,15-16,19H,13-14H2,1-3H3,(H,30,32)(H2,29,31,33,36)