4-methoxy-N-[N'-(phenylmethyl)carbamimidoyl]benzamide sulfate

Systemtic Name: 4-methoxy-N-[N'-(phenylmethyl)carbamimidoyl]benzamide sulfate Openeye Name: N-(N'-benzylcarbamimidoyl)-4-methoxy-benzamide sulfate CAS Name: N-[amino-(phenylmethyl)iminomethyl]-4-methoxybenzamide sulfate IUPAC Name: N-(N'-benzylcarbamimidoyl)-4-methoxybenzamide sulfate Traditional Name: N-(N'-benzylamidino)-4-methoxy-benzamide sulfate Formula: C32H34N6O8S-2 MolecularWeight: 662.71276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=C2)N.COC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=C2)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=C2)N.COC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=C2)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H17N3O2.H2O4S/c2*1-21-14-9-7-13(8-10-14)15(20)19-16(17)18-11-12-5-3-2-4-6-12;1-5(2,3)4/h2*2-10H,11H2,1H3,(H3,17,18,19,20);(H2,1,2,3,4)/p-2