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

Systemtic Name: N-(4-bromophenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(4-bromophenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide CAS Name: N-(4-bromophenyl)-4-[[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]methyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(4-bromophenyl)-4-[[(6-propionamido-1,3-benzothiazol-2-yl)thio]methyl]benzamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN3O2S2/c1-2-22(29)26-19-11-12-20-21(13-19)32-24(28-20)31-14-15-3-5-16(6-4-15)23(30)27-18-9-7-17(25)8-10-18/h3-13H,2,14H2,1H3,(H,26,29)(H,27,30)