[2-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-(4-methylpiperidin-1-yl)methanethione

Systemtic Name: [2-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [2-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-phenyl]-(4-methylpiperidino)methanethione Formula: C21H23BrClNO2S MolecularWeight: 468.83482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3Cl)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H23BrClNO2S/c1-14-7-9-24(10-8-14)21(27)16-11-19(25-2)20(12-17(16)22)26-13-15-5-3-4-6-18(15)23/h3-6,11-12,14H,7-10,13H2,1-2H3