N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-3-phenyl-propionamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O3S/c21-15-9-10-17(16(22)13-15)28-12-4-7-19(27)24-25-20(29)23-18(26)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)