methyl N-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]carbamate Openeye Name: methyl N-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]carbamate CAS Name: N-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]carbamate Traditional Name: N-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]carbamic acid methyl ester Formula: C13H15Cl2N3O4S MolecularWeight: 380.2469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H15Cl2N3O4S/c1-21-13(20)18-17-12(23)16-11(19)3-2-6-22-10-5-4-8(14)7-9(10)15/h4-5,7H,2-3,6H2,1H3,(H,18,20)(H2,16,17,19,23)