N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-oxidanylidene-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-oxidanylidene-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCC[NH+]5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCC[NH+]5CCOCC5

InChI

InChI=1S/C25H30N4O3S2/c30-21(26-11-6-12-28-13-15-32-16-14-28)17-33-25-27-23-22(19-9-4-5-10-20(19)34-23)24(31)29(25)18-7-2-1-3-8-18/h1-3,7-8H,4-6,9-17H2,(H,26,30)/p+1