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

Systemtic Name: 3-chloranyl-N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]benzamide CAS Name: 3-chloro-N-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]benzamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-14(20(26)24-18-9-11-23-12-10-18)28-19-7-5-17(6-8-19)25-21(27)15-3-2-4-16(22)13-15/h2-14H,1H3,(H,25,27)(H,23,24,26)