1-(cyclohexen-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(cyclohexen-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(cyclohexen-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1-cyclohexenylmethyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(cyclohexen-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(cyclohexen-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CCCCC2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CCCCC2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-26-19-10-11-20(21(13-19)27-2)24-22(28)25(15-17-7-4-3-5-8-17)16-18-9-6-12-23-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,24,28)