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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(hexanoylamino)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(hexanoylamino)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(hexanoylamino)carbamothioyl]butanamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C17H23Cl2N3O3S MolecularWeight: 420.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C17H23Cl2N3O3S/c1-2-3-4-6-16(24)21-22-17(26)20-15(23)7-5-10-25-14-9-8-12(18)11-13(14)19/h8-9,11H,2-7,10H2,1H3,(H,21,24)(H2,20,22,23,26)