N-(6-azanyl-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]ethanamide

Systemtic Name: N-(6-azanyl-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]ethanamide Openeye Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]acetamide CAS Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]acetamide IUPAC Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]acetamide Traditional Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[bis(cyanomethyl)amino]acetamide Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)NC(=O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)NC(=O)CN(CC#N)CC#N

InChI

InChI=1S/C13H12N6OS/c14-3-5-19(6-4-15)8-12(20)18-13-17-10-2-1-9(16)7-11(10)21-13/h1-2,7H,5-6,8,16H2,(H,17,18,20)