2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C19H24BrN3O3S MolecularWeight: 454.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC(=C(C=C3Br)O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC(=C(C=C3Br)O)OC

InChI

InChI=1S/C19H24BrN3O3S/c1-13-21-15(12-27-13)11-22-4-3-5-23(7-6-22)19(25)9-14-8-18(26-2)17(24)10-16(14)20/h8,10,12,24H,3-7,9,11H2,1-2H3