sulfuric acid; 3,4,5-trimethoxy-N-[N'-(phenylmethyl)carbamimidoyl]benzamide

Systemtic Name: sulfuric acid; 3,4,5-trimethoxy-N-[N'-(phenylmethyl)carbamimidoyl]benzamide Openeye Name: N-(N'-benzylcarbamimidoyl)-3,4,5-trimethoxy-benzamide; sulfuric acid CAS Name: N-[amino-(phenylmethyl)iminomethyl]-3,4,5-trimethoxybenzamide; sulfuric acid IUPAC Name: N-(N'-benzylcarbamimidoyl)-3,4,5-trimethoxybenzamide; sulfuric acid Traditional Name: N-(N'-benzylamidino)-3,4,5-trimethoxy-benzamide; sulfuric acid Formula: C36H44N6O12S MolecularWeight: 784.83256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.OS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NCC2=CC=CC=C2)N.OS(=O)(=O)O

InChI

InChI=1S/2C18H21N3O4.H2O4S/c2*1-23-14-9-13(10-15(24-2)16(14)25-3)17(22)21-18(19)20-11-12-7-5-4-6-8-12;1-5(2,3)4/h2*4-10H,11H2,1-3H3,(H3,19,20,21,22);(H2,1,2,3,4)