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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-13-20-15(12-25-13)11-21-6-3-7-22(9-8-21)18(23)14-4-5-17(24-2)16(19)10-14/h4-5,10,12H,3,6-9,11H2,1-2H3