3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-N-ethyl-N-phenyl-benzamide

Systemtic Name: 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-N-ethyl-N-phenyl-benzamide Openeye Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-ethyl-N-phenyl-benzamide CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-N-ethyl-N-phenylbenzamide IUPAC Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-ethyl-N-phenylbenzamide Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]-N-ethyl-N-phenyl-benzamide Formula: C26H25Cl2N3O3S MolecularWeight: 530.466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H25Cl2N3O3S/c1-2-31(21-10-4-3-5-11-21)25(33)18-8-6-9-20(16-18)29-26(35)30-24(32)12-7-15-34-23-14-13-19(27)17-22(23)28/h3-6,8-11,13-14,16-17H,2,7,12,15H2,1H3,(H2,29,30,32,35)