1-cyclopropyl-3-octan-3-yl-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-cyclopropyl-3-octan-3-yl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-cyclopropyl-3-(1-ethylhexyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-cyclopropyl-3-octan-3-yl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-cyclopropyl-3-octan-3-yl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-cyclopropyl-3-(1-ethylhexyl)-1-(2-pyridylmethyl)thiourea Formula: C18H29N3S MolecularWeight: 319.50796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CC1=CC=CC=N1)C2CC2

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CC1=CC=CC=N1)C2CC2

InChI

InChI=1S/C18H29N3S/c1-3-5-6-9-15(4-2)20-18(22)21(17-11-12-17)14-16-10-7-8-13-19-16/h7-8,10,13,15,17H,3-6,9,11-12,14H2,1-2H3,(H,20,22)