N-butyl-N-methyl-2-[5-[4-[3,5,6-tris(oxidanyl)-8-phenyl-7H-benzo[7]annulen-9-yl]phenoxy]pentylsulfanyl]ethanamide

Systemtic Name: N-butyl-N-methyl-2-[5-[4-[3,5,6-tris(oxidanyl)-8-phenyl-7H-benzo[7]annulen-9-yl]phenoxy]pentylsulfanyl]ethanamide Openeye Name: N-butyl-N-methyl-2-[5-[4-(3,5,6-trihydroxy-8-phenyl-7H-benzo[7]annulen-9-yl)phenoxy]pentylsulfanyl]acetamide CAS Name: N-butyl-N-methyl-2-[5-[4-(3,5,6-trihydroxy-8-phenyl-7H-benzo[7]annulen-9-yl)phenoxy]pentylthio]acetamide IUPAC Name: N-butyl-N-methyl-2-[5-[4-(3,5,6-trihydroxy-8-phenyl-7H-benzo[7]annulen-9-yl)phenoxy]pentylsulfanyl]acetamide Traditional Name: N-butyl-N-methyl-2-[5-[4-(3,5,6-trihydroxy-8-phenyl-7H-benzocyclohepten-9-yl)phenoxy]pentylthio]acetamide Formula: C35H41NO5S MolecularWeight: 587.76874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41NO5S/c1-3-4-19-36(2)33(39)24-42-21-10-6-9-20-41-28-16-13-26(14-17-28)34-29-18-15-27(37)22-31(29)35(40)32(38)23-30(34)25-11-7-5-8-12-25/h5,7-8,11-18,22,37-38,40H,3-4,6,9-10,19-21,23-24H2,1-2H3