N-butyl-N-methyl-2-[5-[4-(2-oxidanyl-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]ethanamide

Systemtic Name: N-butyl-N-methyl-2-[5-[4-(2-oxidanyl-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]ethanamide Openeye Name: N-butyl-2-[5-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]-N-methyl-acetamide CAS Name: N-butyl-2-[5-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylthio]-N-methylacetamide IUPAC Name: N-butyl-2-[5-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]pentylsulfanyl]-N-methylacetamide Traditional Name: N-butyl-2-[5-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)phenoxy]pentylthio]-N-methyl-acetamide Formula: C35H43NO3S MolecularWeight: 557.78582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSCCCCCOC1=CC=C(C=C1)C2=C(CCCC3=C2C=CC(=C3)O)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C)C(=O)CSCCCCCOC1=CC=C(C=C1)C2=C(CCCC3=C2C=CC(=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C35H43NO3S/c1-3-4-22-36(2)34(38)26-40-24-10-6-9-23-39-31-19-16-28(17-20-31)35-32(27-12-7-5-8-13-27)15-11-14-29-25-30(37)18-21-33(29)35/h5,7-8,12-13,16-21,25,37H,3-4,6,9-11,14-15,22-24,26H2,1-2H3