2-[3,4-bis(azanyl)phenyl]-N-[(6-tert-butyl-2-cyclohexylsulfanyl-pyridin-3-yl)methyl]propanamide

Systemtic Name: 2-[3,4-bis(azanyl)phenyl]-N-[(6-tert-butyl-2-cyclohexylsulfanyl-pyridin-3-yl)methyl]propanamide Openeye Name: N-[(6-tert-butyl-2-cyclohexylsulfanyl-3-pyridyl)methyl]-2-(3,4-diaminophenyl)propanamide CAS Name: N-[[6-tert-butyl-2-(cyclohexylthio)-3-pyridinyl]methyl]-2-(3,4-diaminophenyl)propanamide IUPAC Name: N-[(6-tert-butyl-2-cyclohexylsulfanylpyridin-3-yl)methyl]-2-(3,4-diaminophenyl)propanamide Traditional Name: N-[[6-tert-butyl-2-(cyclohexylthio)-3-pyridyl]methyl]-2-(3,4-diaminophenyl)propionamide Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N)N)C(=O)NCC2=C(N=C(C=C2)C(C)(C)C)SC3CCCCC3

Isomeric SMILES

CC(C1=CC(=C(C=C1)N)N)C(=O)NCC2=C(N=C(C=C2)C(C)(C)C)SC3CCCCC3

InChI

InChI=1S/C25H36N4OS/c1-16(17-10-12-20(26)21(27)14-17)23(30)28-15-18-11-13-22(25(2,3)4)29-24(18)31-19-8-6-5-7-9-19/h10-14,16,19H,5-9,15,26-27H2,1-4H3,(H,28,30)