N-[4-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[4-[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]butyramide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-3-4-17(23)21-14-6-8-15(9-7-14)25-12(2)18(24)22-16-10-5-13(19)11-20-16/h5-12H,3-4H2,1-2H3,(H,21,23)(H,20,22,24)