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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(3-ethoxypropanoylamino)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(3-ethoxypropanoylamino)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(3-ethoxypropanoylamino)carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[(3-ethoxypropanoylamino)thiocarbamoyl]butyramide Formula: C16H21Cl2N3O4S MolecularWeight: 422.32664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21Cl2N3O4S/c1-2-24-9-7-15(23)20-21-16(26)19-14(22)4-3-8-25-13-6-5-11(17)10-12(13)18/h5-6,10H,2-4,7-9H2,1H3,(H,20,23)(H2,19,21,22,26)