3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl N'-phenethylcarbamimidothioate

Systemtic Name: 3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl N'-phenethylcarbamimidothioate Openeye Name: 2-(3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl)-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid 3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl ester IUPAC Name: 3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl N'-phenethylcarbamimidothioate Traditional Name: 2-(3,7-diazabicyclo[2.2.1]hepta-1,3-dien-5-yl)-3-phenethyl-isothiourea Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=NC=C1N2)SC(=NCCC3=CC=CC=C3)N

Isomeric SMILES

C1C(C2=NC=C1N2)SC(=NCCC3=CC=CC=C3)N

InChI

InChI=1S/C14H16N4S/c15-14(16-7-6-10-4-2-1-3-5-10)19-12-8-11-9-17-13(12)18-11/h1-5,9,12H,6-8H2,(H2,15,16)(H,17,18)