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

Systemtic Name: N-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3OS/c1-15-5-2-3-6-16(15)14-20-8-10-21(11-9-20)18(23)19-13-17-7-4-12-22-17/h2-7,12H,8-11,13-14H2,1H3,(H,19,23)/p+1