N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexanediamide

Systemtic Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexanediamide Openeye Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-hexanediamide CAS Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethylhexanediamide IUPAC Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethylhexanediamide Traditional Name: N'-[2-(2,4-dimethoxy-1,3-benzothiazol-7-yl)ethyl]-N-phenethyl-adipamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC3=CC=CC=C3)SC(=N2)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC3=CC=CC=C3)SC(=N2)OC

InChI

InChI=1S/C25H31N3O4S/c1-31-20-13-12-19(24-23(20)28-25(32-2)33-24)15-17-27-22(30)11-7-6-10-21(29)26-16-14-18-8-4-3-5-9-18/h3-5,8-9,12-13H,6-7,10-11,14-17H2,1-2H3,(H,26,29)(H,27,30)