1-[2-(3,4-dimethoxyphenyl)ethyl]-3-dodecyl-thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-dodecyl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-dodecyl-thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-dodecylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-dodecylthiourea Traditional Name: 1-homoveratryl-3-lauryl-thiourea Formula: C23H40N2O2S MolecularWeight: 408.6409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C23H40N2O2S/c1-4-5-6-7-8-9-10-11-12-13-17-24-23(28)25-18-16-20-14-15-21(26-2)22(19-20)27-3/h14-15,19H,4-13,16-18H2,1-3H3,(H2,24,25,28)