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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C23H40N2O2S/c1-5-7-9-11-17-25(18-12-10-8-6-2)23(28)24-16-15-20-13-14-21(26-3)22(19-20)27-4/h13-14,19H,5-12,15-18H2,1-4H3,(H,24,28)