3-methyl-N-[N'-(phenylmethyl)carbamimidoyl]butanamide; sulfuric acid

Systemtic Name: 3-methyl-N-[N'-(phenylmethyl)carbamimidoyl]butanamide; sulfuric acid Openeye Name: N-(N'-benzylcarbamimidoyl)-3-methyl-butanamide; sulfuric acid CAS Name: N-[amino-(phenylmethyl)iminomethyl]-3-methylbutanamide; sulfuric acid IUPAC Name: N-(N'-benzylcarbamimidoyl)-3-methylbutanamide; sulfuric acid Traditional Name: N-(N'-benzylamidino)-3-methyl-butyramide; sulfuric acid Formula: C13H21N3O5S MolecularWeight: 331.38794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=NCC1=CC=CC=C1)N.OS(=O)(=O)O

Isomeric SMILES

CC(C)CC(=O)NC(=NCC1=CC=CC=C1)N.OS(=O)(=O)O

InChI

InChI=1S/C13H19N3O.H2O4S/c1-10(2)8-12(17)16-13(14)15-9-11-6-4-3-5-7-11;1-5(2,3)4/h3-7,10H,8-9H2,1-2H3,(H3,14,15,16,17);(H2,1,2,3,4)