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

Systemtic Name: 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-isopropyl-benzamide CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]-N-isopropyl-benzamide Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3S/c1-13(2)24-20(28)14-5-3-6-16(11-14)25-21(30)26-19(27)7-4-10-29-18-9-8-15(22)12-17(18)23/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,24,28)(H2,25,26,27,30)