N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-14(2)10-11-29-17-6-4-16(5-7-17)21(28)24-22(31)26-25-20(27)13-30-18-8-9-19(23)15(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)