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

Systemtic Name: N-[N'-(phenylmethyl)carbamimidoyl]benzamide sulfate Openeye Name: N-(N'-benzylcarbamimidoyl)benzamide sulfate CAS Name: N-[amino-(phenylmethyl)iminomethyl]benzamide sulfate IUPAC Name: N-(N'-benzylcarbamimidoyl)benzamide sulfate Traditional Name: N-(N'-benzylamidino)benzamide sulfate Formula: C30H30N6O6S-2 MolecularWeight: 602.6608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H15N3O.H2O4S/c2*16-15(17-11-12-7-3-1-4-8-12)18-14(19)13-9-5-2-6-10-13;1-5(2,3)4/h2*1-10H,11H2,(H3,16,17,18,19);(H2,1,2,3,4)/p-2