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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

InChI

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