(2-methoxy-4-methylsulfanyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H26N4O2S/c1-21-10-7-20-18(21)14-22-8-4-9-23(12-11-22)19(24)16-6-5-15(26-3)13-17(16)25-2/h5-7,10,13H,4,8-9,11-12,14H2,1-3H3