1-cyclopentyl-3-(2-fluorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC=C3F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C22H27FN2O3S/c1-26-19-13-12-15(20(27-2)21(19)28-3)14-25(16-8-4-5-9-16)22(29)24-18-11-7-6-10-17(18)23/h6-7,10-13,16H,4-5,8-9,14H2,1-3H3,(H,24,29)