1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]-1-octyl-3-phenethyl-thiourea

Systemtic Name: 1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]-1-octyl-3-phenethyl-thiourea Openeye Name: 1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-1-octyl-3-phenethyl-thiourea CAS Name: 1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-1-octyl-3-phenethylthiourea IUPAC Name: 1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-1-octyl-3-phenethylthiourea Traditional Name: 1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-1-octyl-3-phenethyl-thiourea Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCC1=CC(=C(C=C1)O)OC)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCN(CCCC1=CC(=C(C=C1)O)OC)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C27H40N2O2S/c1-3-4-5-6-7-11-20-29(27(32)28-19-18-23-13-9-8-10-14-23)21-12-15-24-16-17-25(30)26(22-24)31-2/h8-10,13-14,16-17,22,30H,3-7,11-12,15,18-21H2,1-2H3,(H,28,32)