N-(2-ethylphenyl)-2-[4-oxidanylidene-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-oxidanylidene-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-ethylphenyl)-2-[4-oxo-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-(2-ethylphenyl)-2-[[4-oxo-3-(2-pyridin-1-iumylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]butanamide IUPAC Name: N-(2-ethylphenyl)-2-[4-oxo-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-(2-ethylphenyl)-2-[[4-keto-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]thio]butyramide Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(CC)SC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

InChI

InChI=1S/C24H24N4O2S2/c1-3-16-9-5-6-11-18(16)26-22(29)20(4-2)32-24-27-19-12-14-31-21(19)23(30)28(24)15-17-10-7-8-13-25-17/h5-14,20H,3-4,15H2,1-2H3,(H,26,29)/p+1