3-tert-butyl-1,1-bis[N-(4-chloranyl-2-ethyl-6-methyl-phenyl)-N-methyl-carbamimidoyl]urea

Systemtic Name: 3-tert-butyl-1,1-bis[N-(4-chloranyl-2-ethyl-6-methyl-phenyl)-N-methyl-carbamimidoyl]urea Openeye Name: 3-tert-butyl-1,1-bis[N-(4-chloro-2-ethyl-6-methyl-phenyl)-N-methyl-carbamimidoyl]urea CAS Name: 3-tert-butyl-1,1-bis[(4-chloro-2-ethyl-N,6-dimethylanilino)-iminomethyl]urea IUPAC Name: 3-tert-butyl-1,1-bis[N-(4-chloro-2-ethyl-6-methylphenyl)-N-methylcarbamimidoyl]urea Traditional Name: 3-tert-butyl-1,1-bis[N-(4-chloro-2-ethyl-6-methyl-phenyl)-N-methyl-amidino]urea Formula: C27H38Cl2N6O MolecularWeight: 533.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Cl)C)N(C)C(=N)N(C(=N)N(C)C2=C(C=C(C=C2C)Cl)CC)C(=O)NC(C)(C)C

Isomeric SMILES

CCC1=C(C(=CC(=C1)Cl)C)N(C)C(=N)N(C(=N)N(C)C2=C(C=C(C=C2C)Cl)CC)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H38Cl2N6O/c1-10-18-14-20(28)12-16(3)22(18)33(8)24(30)35(26(36)32-27(5,6)7)25(31)34(9)23-17(4)13-21(29)15-19(23)11-2/h12-15,30-31H,10-11H2,1-9H3,(H,32,36)