2-diethylaminoethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate

Systemtic Name: 2-diethylaminoethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1-benzyl-2-(2-diethylaminoethyl)-3-phenyl-1-(2-pyridyl)isothiourea CAS Name: N'-phenyl-N-(phenylmethyl)-N-(2-pyridinyl)carbamimidothioic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl N-benzyl-N'-phenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1-benzyl-2-(2-diethylaminoethyl)-3-phenyl-1-(2-pyridyl)isothiourea Formula: C25H30N4S MolecularWeight: 418.5975

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CCN(CC)CCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C25H30N4S/c1-3-28(4-2)19-20-30-25(27-23-15-9-6-10-16-23)29(24-17-11-12-18-26-24)21-22-13-7-5-8-14-22/h5-18H,3-4,19-21H2,1-2H3