N-(3,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3S2+ MolecularWeight: 346.53326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3)C

InChI

InChI=1S/C18H23N3S2/c1-14-9-15(2)11-17(10-14)19-18(22)21-6-4-20(5-7-21)12-16-3-8-23-13-16/h3,8-11,13H,4-7,12H2,1-2H3,(H,19,22)/p+1