(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-pyrrolidin-1-yl-methanethione

Systemtic Name: (2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-pyrrolidin-1-yl-methanethione Openeye Name: (4-benzyloxy-2-bromo-5-methoxy-phenyl)-pyrrolidin-1-yl-methanethione CAS Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)-(1-pyrrolidinyl)methanethione IUPAC Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione Traditional Name: (4-benzoxy-2-bromo-5-methoxy-phenyl)-pyrrolidino-methanethione Formula: C19H20BrNO2S MolecularWeight: 406.3366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO2S/c1-22-17-11-15(19(24)21-9-5-6-10-21)16(20)12-18(17)23-13-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3