3-bromanyl-4-butoxy-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-4-5-8-29-19-7-6-16(12-18(19)23)21(28)24-22(31)26-25-20(27)13-30-17-10-14(2)9-15(3)11-17/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)