2-(2-phenylsulfanylethanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-(2-phenylsulfanylethanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(2-phenylsulfanylacetyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-isopropyl-2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C19H24N3O2S2+ MolecularWeight: 390.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-12(2)22-9-8-14-15(10-22)26-19(17(14)18(20)24)21-16(23)11-25-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1