N-(2-ethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3S2+ MolecularWeight: 346.53326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

InChI

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