1-(6-phenylsulfanylhexyl)-3-pyridin-4-yl-thiourea

Systemtic Name: 1-(6-phenylsulfanylhexyl)-3-pyridin-4-yl-thiourea Openeye Name: 1-(6-phenylsulfanylhexyl)-3-(4-pyridyl)thiourea CAS Name: 1-[6-(phenylthio)hexyl]-3-pyridin-4-ylthiourea IUPAC Name: 1-(6-phenylsulfanylhexyl)-3-pyridin-4-ylthiourea Traditional Name: 1-[6-(phenylthio)hexyl]-3-(4-pyridyl)thiourea Formula: C18H23N3S2 MolecularWeight: 345.52532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3S2/c22-18(21-16-10-13-19-14-11-16)20-12-6-1-2-7-15-23-17-8-4-3-5-9-17/h3-5,8-11,13-14H,1-2,6-7,12,15H2,(H2,19,20,21,22)