1-(11-phenoxyundecyl)-3-pyridin-4-yl-thiourea

Systemtic Name: 1-(11-phenoxyundecyl)-3-pyridin-4-yl-thiourea Openeye Name: 1-(11-phenoxyundecyl)-3-(4-pyridyl)thiourea CAS Name: 1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea IUPAC Name: 1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea Traditional Name: 1-(11-phenoxyundecyl)-3-(4-pyridyl)thiourea Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCCCNC(=S)NC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCCCCNC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C23H33N3OS/c28-23(26-21-15-18-24-19-16-21)25-17-11-6-4-2-1-3-5-7-12-20-27-22-13-9-8-10-14-22/h8-10,13-16,18-19H,1-7,11-12,17,20H2,(H2,24,25,26,28)