1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(2,4-dimethoxybenzyl)-1-(3-imidazol-1-ylpropyl)-3-(tetrahydrofurfuryl)thiourea Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3CCCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3CCCO3)OC

InChI

InChI=1S/C21H30N4O3S/c1-26-18-7-6-17(20(13-18)27-2)15-25(10-4-9-24-11-8-22-16-24)21(29)23-14-19-5-3-12-28-19/h6-8,11,13,16,19H,3-5,9-10,12,14-15H2,1-2H3,(H,23,29)