methyl N-(2-cyclopentyl-4-phenoxy-6-propan-2-yl-phenyl)-N'-propan-2-yl-carbamimidothioate

Systemtic Name: methyl N-(2-cyclopentyl-4-phenoxy-6-propan-2-yl-phenyl)-N'-propan-2-yl-carbamimidothioate Openeye Name: 1-(2-cyclopentyl-6-isopropyl-4-phenoxy-phenyl)-3-isopropyl-2-methyl-isothiourea CAS Name: N-(2-cyclopentyl-4-phenoxy-6-propan-2-ylphenyl)-N'-propan-2-ylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-cyclopentyl-4-phenoxy-6-propan-2-ylphenyl)-N'-propan-2-ylcarbamimidothioate Traditional Name: 1-(2-cyclopentyl-6-isopropyl-4-phenoxy-phenyl)-3-isopropyl-2-methyl-isothiourea Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)OC2=CC=CC=C2)C3CCCC3)NC(=NC(C)C)SC

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)OC2=CC=CC=C2)C3CCCC3)NC(=NC(C)C)SC

InChI

InChI=1S/C25H34N2OS/c1-17(2)22-15-21(28-20-13-7-6-8-14-20)16-23(19-11-9-10-12-19)24(22)27-25(29-5)26-18(3)4/h6-8,13-19H,9-12H2,1-5H3,(H,26,27)