6-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide

Systemtic Name: 6-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide Openeye Name: 6-[(E)-N-guanidino-C-methyl-carbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide CAS Name: 6-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]-N-[4-(1-imidazolyl)phenyl]-1H-indole-2-carboxamide IUPAC Name: 6-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide Traditional Name: 6-[(E)-N-guanidino-C-methyl-carbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide Formula: C21H20N8O MolecularWeight: 400.4365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)N)C1=CC2=C(C=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C/C(=N\N=C(N)N)/C1=CC2=C(C=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H20N8O/c1-13(27-28-21(22)23)14-2-3-15-11-19(26-18(15)10-14)20(30)25-16-4-6-17(7-5-16)29-9-8-24-12-29/h2-12,26H,1H3,(H,25,30)(H4,22,23,28)/b27-13+