2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-N-butan-2-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O3S/c1-3-14(2)25-21(29)16-7-4-5-8-18(16)26-22(31)27-20(28)9-6-12-30-19-11-10-15(23)13-17(19)24/h4-5,7-8,10-11,13-14H,3,6,9,12H2,1-2H3,(H,25,29)(H2,26,27,28,31)