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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(4-pentoxyphenyl)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[(4-pentoxyphenyl)carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(4-pentoxyanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[(4-pentoxyphenyl)carbamothioyl]butanamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C22H26Cl2N2O3S MolecularWeight: 469.42444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O3S/c1-2-3-4-13-28-18-10-8-17(9-11-18)25-22(30)26-21(27)6-5-14-29-20-12-7-16(23)15-19(20)24/h7-12,15H,2-6,13-14H2,1H3,(H2,25,26,27,30)