2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(2-chlorophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(2-chlorophenyl)methylideneamino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(2-chlorophenyl)methyleneamino]acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-N-[(2-chlorophenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-[(2-chlorophenyl)methylideneamino]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-N-[(2-chlorobenzylidene)amino]acetamide Formula: C20H24ClN5OS MolecularWeight: 417.95546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN5OS/c1-15-12-19(24-20(23-15)26-10-6-2-3-7-11-26)28-14-18(27)25-22-13-16-8-4-5-9-17(16)21/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3,(H,25,27)