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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-(hexadecylcarbamothioyl)butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-(hexadecylcarbamothioyl)butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-(hexadecylcarbamothioyl)butanamide Traditional Name: N-(cetylthiocarbamoyl)-4-(2,4-dichlorophenoxy)butyramide Formula: C27H44Cl2N2O2S MolecularWeight: 531.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C27H44Cl2N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-27(34)31-26(32)17-16-21-33-25-19-18-23(28)22-24(25)29/h18-19,22H,2-17,20-21H2,1H3,(H2,30,31,32,34)