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

Systemtic Name: N-butyl-N-methyl-2-[6-[4-(2-oxidanyl-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]hexylsulfanyl]ethanamide Openeye Name: N-butyl-2-[6-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]hexylsulfanyl]-N-methyl-acetamide CAS Name: N-butyl-2-[6-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]hexylthio]-N-methylacetamide IUPAC Name: N-butyl-2-[6-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]hexylsulfanyl]-N-methylacetamide Traditional Name: N-butyl-2-[6-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzocyclohepten-5-yl)phenoxy]hexylthio]-N-methyl-acetamide Formula: C36H45NO3S MolecularWeight: 571.8124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSCCCCCCOC1=CC=C(C=C1)C2=C(CCCC3=C2C=CC(=C3)O)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C)C(=O)CSCCCCCCOC1=CC=C(C=C1)C2=C(CCCC3=C2C=CC(=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C36H45NO3S/c1-3-4-23-37(2)35(39)27-41-25-11-6-5-10-24-40-32-20-17-29(18-21-32)36-33(28-13-8-7-9-14-28)16-12-15-30-26-31(38)19-22-34(30)36/h7-9,13-14,17-22,26,38H,3-6,10-12,15-16,23-25,27H2,1-2H3