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

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-phenyl]-(4-methylpiperidino)methanethione Formula: C22H25BrClNO2S MolecularWeight: 482.8614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCC(CC2)C)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCC(CC2)C)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25BrClNO2S/c1-3-26-20-13-17(22(28)25-10-8-15(2)9-11-25)12-19(23)21(20)27-14-16-4-6-18(24)7-5-16/h4-7,12-13,15H,3,8-11,14H2,1-2H3