1,3-benzothiazol-2-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H15N4OS2+ MolecularWeight: 343.4465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H14N4OS2/c1-20(9-14(21)19-16-11(8-17)6-7-22-16)10-15-18-12-4-2-3-5-13(12)23-15/h2-7H,9-10H2,1H3,(H,19,21)/p+1