(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide

Systemtic Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide Openeye Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide CAS Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylthio]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide IUPAC Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide Traditional Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylthio]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide Formula: C39H49N5O3S MolecularWeight: 667.90306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)SCC5=NN=CN5CCC)CCC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)SCC5=NN=CN5CCC)CCC

InChI

InChI=1S/C39H49N5O3S/c1-4-7-23-46-24-25-47-35-15-10-30(11-16-35)31-12-19-37-33(26-31)27-32(9-8-22-43(37)20-5-2)39(45)41-34-13-17-36(18-14-34)48-28-38-42-40-29-44(38)21-6-3/h10-19,26-27,29H,4-9,20-25,28H2,1-3H3,(H,41,45)/b32-27+