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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(3-butoxyphenyl)carbamothioyl]butanamide Openeye Name: N-[(3-butoxyphenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-[(3-butoxyanilino)-sulfanylidenemethyl]-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-[(3-butoxyphenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-[(3-butoxyphenyl)thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C21H24Cl2N2O3S MolecularWeight: 455.39786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O3S/c1-2-3-11-27-17-7-4-6-16(14-17)24-21(29)25-20(26)8-5-12-28-19-10-9-15(22)13-18(19)23/h4,6-7,9-10,13-14H,2-3,5,8,11-12H2,1H3,(H2,24,25,26,29)