1-cyclopentyl-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-cyclopentyl-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-cyclopentyl-3-(1-ethylhexyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-cyclopentyl-3-octan-3-yl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-cyclopentyl-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-cyclopentyl-3-(1-ethylhexyl)-1-(3-pyridylmethyl)thiourea Formula: C20H33N3S MolecularWeight: 347.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CC1=CN=CC=C1)C2CCCC2

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CC1=CN=CC=C1)C2CCCC2

InChI

InChI=1S/C20H33N3S/c1-3-5-6-11-18(4-2)22-20(24)23(19-12-7-8-13-19)16-17-10-9-14-21-15-17/h9-10,14-15,18-19H,3-8,11-13,16H2,1-2H3,(H,22,24)