N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C24H29N4O2S2+ MolecularWeight: 469.64266

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C24H28N4O2S2/c1-3-12-28-23(30)21-19(17-8-6-5-7-9-17)15-31-22(21)26-24(28)32-16-20(29)25-18-10-13-27(4-2)14-11-18/h3,5-9,15,18H,1,4,10-14,16H2,2H3,(H,25,29)/p+1