1-[[4,9-bis[[(E)-3-phenylprop-2-enyl]sulfanyl]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methyl-urea

Systemtic Name: 1-[[4,9-bis[[(E)-3-phenylprop-2-enyl]sulfanyl]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methyl-urea Openeye Name: 1-[[4,9-bis[[(E)-cinnamyl]sulfanyl]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methyl-urea CAS Name: 1-[[4,9-bis[[(E)-3-phenylprop-2-enyl]thio]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methylurea IUPAC Name: 1-[[4,9-bis[[(E)-3-phenylprop-2-enyl]sulfanyl]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methylurea Traditional Name: 1-[[4,9-bis[[(E)-cinnamyl]thio]-2,3-dihydro-1H-phenalen-1-yl]methyl]-3-methyl-urea Formula: C34H34N2OS2 MolecularWeight: 550.77656

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCC1CCC2=C(C=CC3=C2C1=C(C=C3)SCC=CC4=CC=CC=C4)SCC=CC5=CC=CC=C5

Isomeric SMILES

CNC(=O)NCC1CCC2=C(C=CC3=C2C1=C(C=C3)SC/C=C/C4=CC=CC=C4)SC/C=C/C5=CC=CC=C5

InChI

InChI=1S/C34H34N2OS2/c1-35-34(37)36-24-28-16-19-29-30(38-22-8-14-25-10-4-2-5-11-25)20-17-27-18-21-31(33(28)32(27)29)39-23-9-15-26-12-6-3-7-13-26/h2-15,17-18,20-21,28H,16,19,22-24H2,1H3,(H2,35,36,37)/b14-8+,15-9+