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

Systemtic Name: N-(4-bromophenyl)-4-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(4-bromophenyl)-4-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide CAS Name: N-(4-bromophenyl)-4-[[[6-(1-oxobutylamino)-1,3-benzothiazol-2-yl]thio]methyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(4-bromophenyl)-4-[[(6-butyramido-1,3-benzothiazol-2-yl)thio]methyl]benzamide Formula: C25H22BrN3O2S2 MolecularWeight: 540.49508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C25H22BrN3O2S2/c1-2-3-23(30)27-20-12-13-21-22(14-20)33-25(29-21)32-15-16-4-6-17(7-5-16)24(31)28-19-10-8-18(26)9-11-19/h4-14H,2-3,15H2,1H3,(H,27,30)(H,28,31)