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

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21N3O4S/c1-10-6-11(2)21-19(17(10)18(20)24)27-8-16(23)22-12(3)13-4-5-14-15(7-13)26-9-25-14/h4-7,12H,8-9H2,1-3H3,(H2,20,24)(H,22,23)