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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C26H28N5OS2+ MolecularWeight: 490.66342

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS2/c1-2-30-12-14-31(15-13-30)21-10-8-20(9-11-21)29-23(32)17-34-26-24-22(19-6-4-3-5-7-19)16-33-25(24)27-18-28-26/h3-11,16,18H,2,12-15,17H2,1H3,(H,29,32)/p+1