(2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O2S/c1-25-19-14-17(26-2)7-8-18(19)20(24)23-11-5-10-22(12-13-23)15-16-6-3-4-9-21-16/h3-4,6-9,14H,5,10-13,15H2,1-2H3