3-chloranyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3S/c1-11-7-8-16(9-12(11)2)26-13(3)17(24)22-23-19(27)21-18(25)14-5-4-6-15(20)10-14/h4-10,13H,1-3H3,(H,22,24)(H2,21,23,25,27)