2-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC(C)C2=CC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC(C)C2=CC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H23N3O3S/c1-11-12(2)19(20(22)26)21(24-13(11)3)28-10-18(25)23-14(4)17-9-15-7-5-6-8-16(15)27-17/h5-9,14H,10H2,1-4H3,(H2,22,26)(H,23,25)