3-(3,4-dimethoxyphenyl)-1,1-dihexyl-thiourea

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1,1-dihexyl-thiourea Openeye Name: 3-(3,4-dimethoxyphenyl)-1,1-dihexyl-thiourea CAS Name: 3-(3,4-dimethoxyphenyl)-1,1-dihexylthiourea IUPAC Name: 3-(3,4-dimethoxyphenyl)-1,1-dihexylthiourea Traditional Name: 3-(3,4-dimethoxyphenyl)-1,1-dihexyl-thiourea Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C21H36N2O2S/c1-5-7-9-11-15-23(16-12-10-8-6-2)21(26)22-18-13-14-19(24-3)20(17-18)25-4/h13-14,17H,5-12,15-16H2,1-4H3,(H,22,26)