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

Systemtic Name: 3-hexyl-1-[(4-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-hexyl-1-(p-tolylmethyl)-1-(2-pyridylmethyl)thiourea CAS Name: 3-hexyl-1-[(4-methylphenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-hexyl-1-[(4-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-hexyl-1-(4-methylbenzyl)-1-(2-pyridylmethyl)thiourea Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC=CC=N2

Isomeric SMILES

CCCCCCNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC=CC=N2

InChI

InChI=1S/C21H29N3S/c1-3-4-5-7-15-23-21(25)24(17-20-9-6-8-14-22-20)16-19-12-10-18(2)11-13-19/h6,8-14H,3-5,7,15-17H2,1-2H3,(H,23,25)