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

Systemtic Name: N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-phenyl-ethyl]thio]phenyl]butyramide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3O2S/c1-2-6-21(28)26-18-10-12-19(13-11-18)30-22(16-7-4-3-5-8-16)23(29)27-20-14-9-17(24)15-25-20/h3-5,7-15,22H,2,6H2,1H3,(H,26,28)(H,25,27,29)