3-methyl-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]benzamide CAS Name: 3-methyl-N-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]-3-methyl-benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O2S/c1-15-4-3-5-17(14-15)22(27)25-18-6-8-20(9-7-18)28-16(2)21(26)24-19-10-12-23-13-11-19/h3-14,16H,1-2H3,(H,25,27)(H,23,24,26)