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

Systemtic Name: 2-[(3-ethylsulfanylphenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(3-ethylsulfanylbenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[3-(ethylthio)phenyl]-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(3-ethylsulfanylbenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[3-(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=C3)SCC

Isomeric SMILES

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

InChI

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