N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C26H27N4OS2+ MolecularWeight: 475.64878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS2/c31-23(29-21-11-13-30(14-12-21)15-19-7-3-1-4-8-19)17-33-26-24-22(20-9-5-2-6-10-20)16-32-25(24)27-18-28-26/h1-10,16,18,21H,11-15,17H2,(H,29,31)/p+1