3,6-bis[(3-aminophenyl)methoxy]-1-oxidanylidene-2,7-bis(phenylmethyl)thiepane-4,5-diol

Systemtic Name: 3,6-bis[(3-aminophenyl)methoxy]-1-oxidanylidene-2,7-bis(phenylmethyl)thiepane-4,5-diol Openeye Name: 3,6-bis[(3-aminophenyl)methoxy]-2,7-dibenzyl-1-oxo-thiepane-4,5-diol CAS Name: 3,6-bis[(3-aminophenyl)methoxy]-1-oxo-2,7-bis(phenylmethyl)thiepane-4,5-diol IUPAC Name: 3,6-bis[(3-aminophenyl)methoxy]-2,7-dibenzyl-1-oxothiepane-4,5-diol Traditional Name: 3,6-bis[(3-aminobenzyl)oxy]-2,7-dibenzyl-1-keto-thiepane-4,5-diol Formula: C34H38N2O5S MolecularWeight: 586.74092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(C(C(S2=O)CC3=CC=CC=C3)OCC4=CC(=CC=C4)N)O)O)OCC5=CC(=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(C(C(C(C(S2=O)CC3=CC=CC=C3)OCC4=CC(=CC=C4)N)O)O)OCC5=CC(=CC=C5)N

InChI

InChI=1S/C34H38N2O5S/c35-27-15-7-13-25(17-27)21-40-33-29(19-23-9-3-1-4-10-23)42(39)30(20-24-11-5-2-6-12-24)34(32(38)31(33)37)41-22-26-14-8-16-28(36)18-26/h1-18,29-34,37-38H,19-22,35-36H2