2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C27H27Cl2N3O3S MolecularWeight: 544.49258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C27H27Cl2N3O3S/c1-32(27(36)31-25(33)12-7-17-35-24-14-13-20(28)18-22(24)29)23-11-6-5-10-21(23)26(34)30-16-15-19-8-3-2-4-9-19/h2-6,8-11,13-14,18H,7,12,15-17H2,1H3,(H,30,34)(H,31,33,36)