4,10-bis[(8-oxidanylquinolin-2-yl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol

Systemtic Name: 4,10-bis[(8-oxidanylquinolin-2-yl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol Openeye Name: 4,10-bis[(8-hydroxy-2-quinolyl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol CAS Name: 4,10-bis[(8-hydroxy-2-quinolinyl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol IUPAC Name: 4,10-bis[(8-hydroxyquinolin-2-yl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol Traditional Name: 4,10-bis[(8-hydroxy-2-quinolyl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol Formula: C31H38N4O3S3 MolecularWeight: 610.85342

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN(CCSCC(CSCCN1CC2=NC3=C(C=CC=C3O)C=C2)O)CC4=NC5=C(C=CC=C5O)C=C4

Isomeric SMILES

C1CSCCN(CCSCC(CSCCN1CC2=NC3=C(C=CC=C3O)C=C2)O)CC4=NC5=C(C=CC=C5O)C=C4

InChI

InChI=1S/C31H38N4O3S3/c36-27-21-40-17-13-34(19-25-9-7-23-3-1-5-28(37)30(23)32-25)11-15-39-16-12-35(14-18-41-22-27)20-26-10-8-24-4-2-6-29(38)31(24)33-26/h1-10,27,36-38H,11-22H2