N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]adamantane-1-carboxamide Formula: C22H27Cl2N3O3S MolecularWeight: 484.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)CCCOC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)CCCOC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H27Cl2N3O3S/c23-16-3-4-18(17(24)9-16)30-5-1-2-19(28)26-27-21(31)25-20(29)22-10-13-6-14(11-22)8-15(7-13)12-22/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,26,28)(H2,25,27,29,31)