2-[(3,5-dimethylphenyl)methyl]-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)butanediamide Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)butanediamide CAS Name: 2-[(3,5-dimethylphenyl)methyl]-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)butanediamide Traditional Name: 2-(3,5-dimethylbenzyl)-N,N'-bis(5-methoxy-1,3-benzothiazol-2-yl)succinamide Formula: C29H28N4O4S2 MolecularWeight: 560.68702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)NC2=NC3=C(S2)C=CC(=C3)OC)C(=O)NC4=NC5=C(S4)C=CC(=C5)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(CC(=O)NC2=NC3=C(S2)C=CC(=C3)OC)C(=O)NC4=NC5=C(S4)C=CC(=C5)OC)C

InChI

InChI=1S/C29H28N4O4S2/c1-16-9-17(2)11-18(10-16)12-19(27(35)33-29-31-23-15-21(37-4)6-8-25(23)39-29)13-26(34)32-28-30-22-14-20(36-3)5-7-24(22)38-28/h5-11,14-15,19H,12-13H2,1-4H3,(H,30,32,34)(H,31,33,35)