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

Systemtic Name: 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-N,N-diethyl-benzamide Openeye Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N,N-diethyl-benzamide CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N,N-diethylbenzamide Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]-N,N-diethyl-benzamide Formula: C22H25Cl2N3O3S MolecularWeight: 482.4232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O3S/c1-3-27(4-2)21(29)15-7-5-8-17(13-15)25-22(31)26-20(28)9-6-12-30-19-11-10-16(23)14-18(19)24/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3,(H2,25,26,28,31)