1-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(p-tolylmethyl)-1-(2-pyridylmethyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(4-methylphenyl)methyl]-3-(2-oxolanylmethyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-(4-methylbenzyl)-1-(2-pyridylmethyl)-3-(tetrahydrofurfuryl)thiourea Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NCC3CCCO3

InChI

InChI=1S/C20H25N3OS/c1-16-7-9-17(10-8-16)14-23(15-18-5-2-3-11-21-18)20(25)22-13-19-6-4-12-24-19/h2-3,5,7-11,19H,4,6,12-15H2,1H3,(H,22,25)