5,8-bis(azanyl)-8-methyl-1,11-diphenyl-6-(pyridin-2-ylmethyl)-2-sulfanyl-undecane-1,4,11-trione

Systemtic Name: 5,8-bis(azanyl)-8-methyl-1,11-diphenyl-6-(pyridin-2-ylmethyl)-2-sulfanyl-undecane-1,4,11-trione Openeye Name: 5,8-diamino-8-methyl-1,11-diphenyl-6-(2-pyridylmethyl)-2-sulfanyl-undecane-1,4,11-trione CAS Name: 5,8-diamino-2-mercapto-8-methyl-1,11-diphenyl-6-(2-pyridinylmethyl)undecane-1,4,11-trione IUPAC Name: 5,8-diamino-8-methyl-1,11-diphenyl-6-(pyridin-2-ylmethyl)-2-sulfanylundecane-1,4,11-trione Traditional Name: 5,8-diamino-2-mercapto-8-methyl-1,11-diphenyl-6-(2-pyridylmethyl)undecane-1,4,11-trione Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)C1=CC=CC=C1)(CC(CC2=CC=CC=N2)C(C(=O)CC(C(=O)C3=CC=CC=C3)S)N)N

Isomeric SMILES

CC(CCC(=O)C1=CC=CC=C1)(CC(CC2=CC=CC=N2)C(C(=O)CC(C(=O)C3=CC=CC=C3)S)N)N

InChI

InChI=1S/C30H35N3O3S/c1-30(32,16-15-25(34)21-10-4-2-5-11-21)20-23(18-24-14-8-9-17-33-24)28(31)26(35)19-27(37)29(36)22-12-6-3-7-13-22/h2-14,17,23,27-28,37H,15-16,18-20,31-32H2,1H3