N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O4S/c1-2-11-29-17-7-4-3-6-15(17)20(28)24-21(31)26-25-19(27)8-5-12-30-18-10-9-14(22)13-16(18)23/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,25,27)(H2,24,26,28,31)