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

Systemtic Name: N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H24ClN3O4S/c1-4-8-28-16-7-5-6-15(11-16)20(27)23-21(30)25-24-18(26)12-29-17-9-13(2)19(22)14(3)10-17/h5-7,9-11H,4,8,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)