2-pyrrolidin-1-ylethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate

Systemtic Name: 2-pyrrolidin-1-ylethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1-benzyl-3-phenyl-1-(2-pyridyl)-2-(2-pyrrolidin-1-ylethyl)isothiourea CAS Name: N'-phenyl-N-(phenylmethyl)-N-(2-pyridinyl)carbamimidothioic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl N-benzyl-N'-phenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1-benzyl-3-phenyl-1-(2-pyridyl)-2-(2-pyrrolidinoethyl)isothiourea Formula: C25H28N4S MolecularWeight: 416.58162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC(=NC2=CC=CC=C2)N(CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)CCSC(=NC2=CC=CC=C2)N(CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H28N4S/c1-3-11-22(12-4-1)21-29(24-15-7-8-16-26-24)25(27-23-13-5-2-6-14-23)30-20-19-28-17-9-10-18-28/h1-8,11-16H,9-10,17-21H2