N-[bis(azanyl)methylideneamino]-3,4-dimethoxy-5-phenylmethoxy-benzamide; sulfuric acid

Systemtic Name: N-[bis(azanyl)methylideneamino]-3,4-dimethoxy-5-phenylmethoxy-benzamide; sulfuric acid Openeye Name: 3-benzyloxy-N-guanidino-4,5-dimethoxy-benzamide; sulfuric acid CAS Name: N-(diaminomethylideneamino)-3,4-dimethoxy-5-phenylmethoxybenzamide; sulfuric acid IUPAC Name: N-(diaminomethylideneamino)-3,4-dimethoxy-5-phenylmethoxybenzamide; sulfuric acid Traditional Name: 3-benzoxy-N-guanidino-4,5-dimethoxy-benzamide; sulfuric acid Formula: C17H22N4O8S MolecularWeight: 442.44358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NN=C(N)N)OCC2=CC=CC=C2)OC.OS(=O)(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NN=C(N)N)OCC2=CC=CC=C2)OC.OS(=O)(=O)O

InChI

InChI=1S/C17H20N4O4.H2O4S/c1-23-13-8-12(16(22)20-21-17(18)19)9-14(15(13)24-2)25-10-11-6-4-3-5-7-11;1-5(2,3)4/h3-9H,10H2,1-2H3,(H,20,22)(H4,18,19,21);(H2,1,2,3,4)