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

Systemtic Name: 2-(3-phenylsulfanylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-(3-phenylsulfanylpropanoylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-isopropyl-2-[3-(phenylthio)propanoylamino]-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:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-13(2)23-10-8-15-16(12-23)27-20(18(15)19(21)25)22-17(24)9-11-26-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,21,25)(H,22,24)/p+1