(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-pyrrolidin-1-yl-methanethione

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-pyrrolidin-1-yl-methanethione Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)-pyrrolidin-1-yl-methanethione CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-(1-pyrrolidinyl)methanethione IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-phenyl)-pyrrolidino-methanethione Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO2S/c1-2-23-18-13-16(20(25)22-10-6-7-11-22)12-17(21)19(18)24-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3