1,3-bis[[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]methyl]urea

Systemtic Name: 1,3-bis[[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]methyl]urea Openeye Name: 1,3-bis[[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]methyl]urea CAS Name: 1,3-bis[[4-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]methyl]urea IUPAC Name: 1,3-bis[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]methyl]urea Traditional Name: 1,3-bis[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]benzyl]urea Formula: C21H28N10O MolecularWeight: 436.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)N)C1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)C(=NN=C(N)N)C

Isomeric SMILES

C/C(=N\N=C(N)N)/C1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)/C(=N/N=C(N)N)/C

InChI

InChI=1S/C21H28N10O/c1-13(28-30-19(22)23)17-7-3-15(4-8-17)11-26-21(32)27-12-16-5-9-18(10-6-16)14(2)29-31-20(24)25/h3-10H,11-12H2,1-2H3,(H4,22,23,30)(H4,24,25,31)(H2,26,27,32)/b28-13+,29-14+