N,N-dimethyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H27N5O2S/c1-22(2)18(26)15-23-10-7-11-24(13-12-23)19(27)17-14-21-20(28-3)25(17)16-8-5-4-6-9-16/h4-6,8-9,14H,7,10-13,15H2,1-3H3