3-(3-chloranyl-4-methoxy-phenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-1-cyclopentyl-1-(2,4-dimethoxybenzyl)thiourea Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC(=C(C=C3)OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC(=C(C=C3)OC)Cl)OC

InChI

InChI=1S/C22H27ClN2O3S/c1-26-18-10-8-15(21(13-18)28-3)14-25(17-6-4-5-7-17)22(29)24-16-9-11-20(27-2)19(23)12-16/h8-13,17H,4-7,14H2,1-3H3,(H,24,29)