(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: (3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=CC(=C(C3=S)C(=O)N)C)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=CC(=C(C3=S)C(=O)N)C)C

InChI

InChI=1S/C21H25N3O2S/c1-5-17-16(15-8-6-7-9-18(15)26-17)11-23(4)12-24-14(3)10-13(2)19(20(22)25)21(24)27/h6-10H,5,11-12H2,1-4H3,(H2,22,25)/p+1