N-(4-ethanoylphenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(4-acetylphenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide CAS Name: N-(4-acetylphenyl)-4-[[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]methyl]benzamide IUPAC Name: N-(4-acetylphenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(4-acetylphenyl)-4-[[(6-propionamido-1,3-benzothiazol-2-yl)thio]methyl]benzamide Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H23N3O3S2/c1-3-24(31)27-21-12-13-22-23(14-21)34-26(29-22)33-15-17-4-6-19(7-5-17)25(32)28-20-10-8-18(9-11-20)16(2)30/h4-14H,3,15H2,1-2H3,(H,27,31)(H,28,32)