1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidothioate

Systemtic Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidothioate Openeye Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-thienyl)ethylideneamino]isothiourea CAS Name: N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidothioic acid 1,3,2-benzodioxaborol-2-yl ester IUPAC Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-thiophen-2-ylethylideneamino]carbamimidothioate Traditional Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-thienyl)ethylideneamino]isothiourea Formula: C13H12BN3O2S2 MolecularWeight: 317.19428

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2O1)SC(=NN=C(C)C3=CC=CS3)N

Isomeric SMILES

B1(OC2=CC=CC=C2O1)S/C(=N\N=C(\C)/C3=CC=CS3)/N

InChI

InChI=1S/C13H12BN3O2S2/c1-9(12-7-4-8-20-12)16-17-13(15)21-14-18-10-5-2-3-6-11(10)19-14/h2-8H,1H3,(H2,15,17)/b16-9-