4-butoxy-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-4-5-13-28-18-11-9-17(10-12-18)21(27)23-22(30)25-24-19(26)14-29-20-15(2)7-6-8-16(20)3/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)(H2,23,25,27,30)