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

Systemtic Name: 3-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-4-10-28-18-9-8-15(11-16(18)22)20(27)23-21(30)25-24-19(26)12-29-17-7-5-6-13(2)14(17)3/h5-9,11H,4,10,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)