2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(4-tert-butylphenoxy)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(4-tert-butylphenoxy)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(4-tert-butylphenoxy)ethyl]pyridine-3-carboxamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[2-(4-tert-butylphenoxy)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-(4-tert-butylphenoxy)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[2-(4-tert-butylphenoxy)ethyl]nicotinamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=C(N=CC=C2)SCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=C(N=CC=C2)SCC(=O)N

InChI

InChI=1S/C20H25N3O3S/c1-20(2,3)14-6-8-15(9-7-14)26-12-11-22-18(25)16-5-4-10-23-19(16)27-13-17(21)24/h4-10H,11-13H2,1-3H3,(H2,21,24)(H,22,25)