[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-pyrrolidin-1-yl-methanethione

Systemtic Name: [3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-pyrrolidin-1-yl-methanethione Openeye Name: [3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]-pyrrolidin-1-yl-methanethione CAS Name: [3-bromo-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]-(1-pyrrolidinyl)methanethione IUPAC Name: [3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanethione Traditional Name: [3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]-pyrrolidino-methanethione Formula: C23H22BrNO2S MolecularWeight: 456.39528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Br)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22BrNO2S/c1-26-21-14-18(23(28)25-11-4-5-12-25)13-20(24)22(21)27-15-17-9-6-8-16-7-2-3-10-19(16)17/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3