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

Systemtic Name: 3-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-cyclopentyl-1-(2,4-dimethoxybenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3CCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3CCCC3)OC

InChI

InChI=1S/C21H30N4O2S/c1-26-19-9-8-17(20(14-19)27-2)15-25(12-5-11-24-13-10-22-16-24)21(28)23-18-6-3-4-7-18/h8-10,13-14,16,18H,3-7,11-12,15H2,1-2H3,(H,23,28)