N-methyl-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C17H20N5OS3+ MolecularWeight: 406.5686

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C17H19N5OS3/c1-18-17(24)22-6-4-21(5-7-22)9-13-19-15(23)14-11(10-26-16(14)20-13)12-3-2-8-25-12/h2-3,8,10H,4-7,9H2,1H3,(H,18,24)(H,19,20,23)/p+1