2-[(2-ethylsulfanylphenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-[(2-ethylsulfanylphenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(2-ethylsulfanylbenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[2-(ethylthio)phenyl]-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(2-ethylsulfanylbenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[2-(ethylthio)benzoyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3SCC

Isomeric SMILES

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3SCC

InChI

InChI=1S/C20H25N3O2S2/c1-3-10-23-11-9-13-16(12-23)27-20(17(13)18(21)24)22-19(25)14-7-5-6-8-15(14)26-4-2/h5-8H,3-4,9-12H2,1-2H3,(H2,21,24)(H,22,25)/p+1