(2-methoxy-4-methylsulfanyl-phenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H25N3O3S/c1-14-11-15(20-25-14)13-21-7-4-8-22(10-9-21)19(23)17-6-5-16(26-3)12-18(17)24-2/h5-6,11-12H,4,7-10,13H2,1-3H3