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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]-(1-piperidyl)methanethione CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-phenyl]-piperidino-methanethione Formula: C22H26BrNO2S MolecularWeight: 448.41634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO2S/c1-3-25-20-14-18(22(27)24-11-5-4-6-12-24)13-19(23)21(20)26-15-17-9-7-16(2)8-10-17/h7-10,13-14H,3-6,11-12,15H2,1-2H3