(3,5-dimethyl-1,2-oxazol-4-yl)methyl N'-(furan-2-ylmethyl)carbamimidothioate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl N'-(furan-2-ylmethyl)carbamimidothioate Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-3-(2-furylmethyl)isothiourea CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl N'-(furan-2-ylmethyl)carbamimidothioate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-3-(2-furfuryl)isothiourea Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC(=NCC2=CC=CO2)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC(=NCC2=CC=CO2)N

InChI

InChI=1S/C12H15N3O2S/c1-8-11(9(2)17-15-8)7-18-12(13)14-6-10-4-3-5-16-10/h3-5H,6-7H2,1-2H3,(H2,13,14)