[3-bromanyl-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-piperidin-1-yl-methanethione

Systemtic Name: [3-bromanyl-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxy-phenyl]-(1-piperidyl)methanethione CAS Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-piperidin-1-ylmethanethione Traditional Name: [3-bromo-4-(3-chlorobenzyl)oxy-5-ethoxy-phenyl]-piperidino-methanethione Formula: C21H23BrClNO2S MolecularWeight: 468.83482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23BrClNO2S/c1-2-25-19-13-16(21(27)24-9-4-3-5-10-24)12-18(22)20(19)26-14-15-7-6-8-17(23)11-15/h6-8,11-13H,2-5,9-10,14H2,1H3