3-cycloheptyl-1-(phenylmethyl)-1-[(2,3,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-cycloheptyl-1-(phenylmethyl)-1-[(2,3,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-benzyl-3-cycloheptyl-1-[(2,3,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-cycloheptyl-1-(phenylmethyl)-1-[(2,3,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-benzyl-3-cycloheptyl-1-[(2,3,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-benzyl-3-cycloheptyl-1-(2,3,5-trimethoxybenzyl)thiourea Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)CN(CC2=CC=CC=C2)C(=S)NC3CCCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)CN(CC2=CC=CC=C2)C(=S)NC3CCCCCC3)OC)OC

InChI

InChI=1S/C25H34N2O3S/c1-28-22-15-20(24(30-3)23(16-22)29-2)18-27(17-19-11-7-6-8-12-19)25(31)26-21-13-9-4-5-10-14-21/h6-8,11-12,15-16,21H,4-5,9-10,13-14,17-18H2,1-3H3,(H,26,31)