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

Systemtic Name: 2-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NCCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NCCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N4O2S2/c1-11-12(2)18(19(21)26)20(23-13(11)3)27-10-16(25)22-9-8-17-24-14-6-4-5-7-15(14)28-17/h4-7H,8-10H2,1-3H3,(H2,21,26)(H,22,25)