4-[2,4-bis(chloranyl)phenoxy]-N-[(3-phenylpropanoylamino)carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(3-phenylpropanoylamino)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(hydrocinnamoylamino)thiocarbamoyl]butyramide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O3S/c21-15-9-10-17(16(22)13-15)28-12-4-7-18(26)23-20(29)25-24-19(27)11-8-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,24,27)(H2,23,25,26,29)