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

Systemtic Name: 1-decyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-decyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-decyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-decyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-decyl-3-homoveratryl-thiourea Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O2S/c1-4-5-6-7-8-9-10-11-15-22-21(26)23-16-14-18-12-13-19(24-2)20(17-18)25-3/h12-13,17H,4-11,14-16H2,1-3H3,(H2,22,23,26)