(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine

Systemtic Name: (6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine Openeye Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methylthiazol-2-yl)methanamine CAS Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-2-thiazolyl)methanamine IUPAC Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine Traditional Name: [(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methylthiazol-2-yl)methyl]amine Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C(C2=CC3=C(C(=C2)Br)OCCCO3)N

Isomeric SMILES

CC1=CN=C(S1)C(C2=CC3=C(C(=C2)Br)OCCCO3)N

InChI

InChI=1S/C14H15BrN2O2S/c1-8-7-17-14(20-8)12(16)9-5-10(15)13-11(6-9)18-3-2-4-19-13/h5-7,12H,2-4,16H2,1H3