N-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2,5-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(=C(C=C1)C)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

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

InChI

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