3-piperidin-1-ylpropyl N,N'-diphenyl-N-pyridin-2-yl-carbamimidothioate

Systemtic Name: 3-piperidin-1-ylpropyl N,N'-diphenyl-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1,3-diphenyl-2-[3-(1-piperidyl)propyl]-1-(2-pyridyl)isothiourea CAS Name: N,N'-diphenyl-N-(2-pyridinyl)carbamimidothioic acid 3-(1-piperidinyl)propyl ester IUPAC Name: 3-piperidin-1-ylpropyl N,N'-diphenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1,3-diphenyl-2-(3-piperidinopropyl)-1-(2-pyridyl)isothiourea Formula: C26H30N4S MolecularWeight: 430.6082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCSC(=NC2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)CCCSC(=NC2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C26H30N4S/c1-4-13-23(14-5-1)28-26(31-22-12-21-29-19-10-3-11-20-29)30(24-15-6-2-7-16-24)25-17-8-9-18-27-25/h1-2,4-9,13-18H,3,10-12,19-22H2