3,3-dimethyl-N-[4-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[4-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-2-(4-pyridylamino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=NC=C2

InChI

InChI=1S/C19H23N3O2S/c1-19(2,3)12-17(23)21-14-4-6-16(7-5-14)25-13-18(24)22-15-8-10-20-11-9-15/h4-11H,12-13H2,1-3H3,(H,21,23)(H,20,22,24)