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

Systemtic Name: 3-cyclooctyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-(o-tolylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(2-methylphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-(2-methylbenzyl)-1-(3-pyridylmethyl)thiourea Formula: C23H31N3S MolecularWeight: 381.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C23H31N3S/c1-19-10-7-8-12-21(19)18-26(17-20-11-9-15-24-16-20)23(27)25-22-13-5-3-2-4-6-14-22/h7-12,15-16,22H,2-6,13-14,17-18H2,1H3,(H,25,27)