4-[2,4-bis(chloranyl)phenoxy]-N-[(2-phenylethanoylamino)carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-phenylethanoylamino)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[[(2-phenylacetyl)amino]thiocarbamoyl]butyramide Formula: C19H19Cl2N3O3S MolecularWeight: 440.34346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O3S/c20-14-8-9-16(15(21)12-14)27-10-4-7-17(25)22-19(28)24-23-18(26)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,23,26)(H2,22,24,25,28)