3-cyclooctyl-1-[(5-methylfuran-2-yl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[(5-methylfuran-2-yl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(5-methyl-2-furyl)methyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(5-methyl-2-furanyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(5-methylfuran-2-yl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-[(5-methyl-2-furyl)methyl]-1-(2-pyridylmethyl)thiourea Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C21H29N3OS/c1-17-12-13-20(25-17)16-24(15-19-11-7-8-14-22-19)21(26)23-18-9-5-3-2-4-6-10-18/h7-8,11-14,18H,2-6,9-10,15-16H2,1H3,(H,23,26)