1-[1-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[1-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]urea CAS Name: 1-[1-[[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl]cyclopentyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]urea Traditional Name: 1-benzyl-3-[1-[[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl]cyclopentyl]urea Formula: C33H36N2O4S MolecularWeight: 556.71494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O4S/c36-28-22-33(27-16-8-3-9-17-27,39-30(37)29(28)40-21-18-25-12-4-1-5-13-25)24-32(19-10-11-20-32)35-31(38)34-23-26-14-6-2-7-15-26/h1-9,12-17,37H,10-11,18-24H2,(H2,34,35,38)