N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methyl-butanamide

Systemtic Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methyl-butanamide Openeye Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methyl-butanamide CAS Name: N-[(E)-amino(1,3-benzothiazol-2-ylimino)methyl]-3-methylbutanamide IUPAC Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methylbutanamide Traditional Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)amidino]-3-methyl-butyramide Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=NC1=NC2=CC=CC=C2S1)N

Isomeric SMILES

CC(C)CC(=O)N/C(=N/C1=NC2=CC=CC=C2S1)/N

InChI

InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)