4-[(5-chloranylthiophen-2-yl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C17H21ClN3S2+ MolecularWeight: 366.95174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H20ClN3S2/c1-13-4-2-3-5-15(13)19-17(22)21-10-8-20(9-11-21)12-14-6-7-16(18)23-14/h2-7H,8-12H2,1H3,(H,19,22)/p+1