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

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(4-methoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(4-methoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-N-[(4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-N-(p-anisylideneamino)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N5O2S/c1-16-13-20(24-21(23-16)26-11-5-3-4-6-12-26)29-15-19(27)25-22-14-17-7-9-18(28-2)10-8-17/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,25,27)