1-[1-(3-methoxy-4-oxidanyl-phenyl)pentan-3-yl]-3-phenethyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[1-(3-methoxy-4-oxidanyl-phenyl)pentan-3-yl]-3-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[1-ethyl-3-(4-hydroxy-3-methoxy-phenyl)propyl]-3-phenethyl-thiourea CAS Name: 1-[1-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-3-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[1-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-3-phenethylthiourea Traditional Name: 1-benzyl-1-[1-ethyl-3-(4-hydroxy-3-methoxy-phenyl)propyl]-3-phenethyl-thiourea Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC(=C(C=C1)O)OC)N(CC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCC(CCC1=CC(=C(C=C1)O)OC)N(CC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O2S/c1-3-25(16-14-23-15-17-26(31)27(20-23)32-2)30(21-24-12-8-5-9-13-24)28(33)29-19-18-22-10-6-4-7-11-22/h4-13,15,17,20,25,31H,3,14,16,18-19,21H2,1-2H3,(H,29,33)