4-[(2,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C17H20Cl2N3OS+ MolecularWeight: 385.3312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H19Cl2N3OS/c18-14-4-3-13(16(19)10-14)12-21-5-7-22(8-6-21)17(24)20-11-15-2-1-9-23-15/h1-4,9-10H,5-8,11-12H2,(H,20,24)/p+1