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

Systemtic Name: N-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H22N3OS2+ MolecularWeight: 348.50608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H21N3OS2/c1-21-16-4-2-3-15(11-16)18-17(22)20-8-6-19(7-9-20)12-14-5-10-23-13-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,22)/p+1