2-azanyl-N-[[6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[[6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[[6-[4-(4-methoxyphenyl)-6-(2-pyridyl)-2-pyridyl]-2-pyridyl]methyl]-N-(2-pyridylmethyl)-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-[[6-[4-(4-methoxyphenyl)-6-(2-pyridinyl)-2-pyridinyl]-2-pyridinyl]methyl]-N-(2-pyridinylmethyl)propanamide IUPAC Name: 2-amino-N-[[6-[4-(4-methoxyphenyl)-6-pyridin-2-ylpyridin-2-yl]pyridin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide Traditional Name: 2-amino-3-mercapto-N-[[6-[4-(4-methoxyphenyl)-6-(2-pyridyl)-2-pyridyl]-2-pyridyl]methyl]-N-(2-pyridylmethyl)propionamide Formula: C32H30N6O2S MolecularWeight: 562.6846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC4=CC=CC=N4)C(=O)C(CS)N)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC4=CC=CC=N4)C(=O)C(CS)N)C5=CC=CC=N5

InChI

InChI=1S/C32H30N6O2S/c1-40-26-13-11-22(12-14-26)23-17-30(28-9-3-5-16-35-28)37-31(18-23)29-10-6-8-25(36-29)20-38(32(39)27(33)21-41)19-24-7-2-4-15-34-24/h2-18,27,41H,19-21,33H2,1H3