4-[2,4-bis(chloranyl)phenoxy]-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-(4-methylpiperazin-4-ium-1-carbothioyl)butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-(4-methylpiperazin-4-ium-1-carbothioyl)butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-(4-methylpiperazin-4-ium-1-carbothioyl)butyramide Formula: C16H22Cl2N3O2S+ MolecularWeight: 391.33578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H21Cl2N3O2S/c1-20-6-8-21(9-7-20)16(24)19-15(22)3-2-10-23-14-5-4-12(17)11-13(14)18/h4-5,11H,2-3,6-10H2,1H3,(H,19,22,24)/p+1