3,3-dimethyl-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H25N3O2S/c1-14(19(25)23-16-9-11-21-12-10-16)26-17-7-5-15(6-8-17)22-18(24)13-20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,24)(H,21,23,25)