N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-thiophen-2-yl-methanamine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-thiophen-2-yl-methanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(2-thienyl)methanamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(2-thenyl)amine Formula: C20H20BrNO2S MolecularWeight: 418.3473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=CS2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=CS2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO2S/c1-23-19-11-16(12-22-13-17-8-5-9-25-17)10-18(21)20(19)24-14-15-6-3-2-4-7-15/h2-11,22H,12-14H2,1H3