4-butoxy-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-4-5-10-29-17-8-6-16(7-9-17)21(28)24-22(31)26-25-19(27)13-30-18-11-14(2)20(23)15(3)12-18/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)