N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

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