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

Systemtic Name: 2-[(2-ethylsulfanylphenyl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(2-ethylsulfanylbenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[2-(ethylthio)phenyl]-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(2-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[2-(ethylthio)benzoyl]amino]-6-isopropyl-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:

CCSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C(=O)N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C(=O)N

InChI

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