N-[(2Z)-3-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonylimino-5-octoxy-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[(2Z)-3-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonylimino-5-octoxy-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-5-octoxy-3-(p-tolylmethyl)-2-(p-tolylsulfonylimino)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-3-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonylimino-5-octoxy-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-3-[(4-methylphenyl)methyl]-2-(4-methylphenyl)sulfonylimino-5-octoxy-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-3-(4-methylbenzyl)-5-octoxy-2-tosylimino-1,3-benzothiazol-6-yl]acetamide Formula: C32H39N3O4S2 MolecularWeight: 593.79976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)C)S2)CC4=CC=C(C=C4)C)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)C)/S2)CC4=CC=C(C=C4)C)NC(=O)C

InChI

InChI=1S/C32H39N3O4S2/c1-5-6-7-8-9-10-19-39-30-21-29-31(20-28(30)33-25(4)36)40-32(35(29)22-26-15-11-23(2)12-16-26)34-41(37,38)27-17-13-24(3)14-18-27/h11-18,20-21H,5-10,19,22H2,1-4H3,(H,33,36)/b34-32-