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

Systemtic Name: N-(2-fluorophenyl)-4-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-fluorophenyl)-4-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-fluorophenyl)-4-[[[6-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]thio]methyl]benzamide IUPAC Name: N-(2-fluorophenyl)-4-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-fluorophenyl)-4-[[[6-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]thio]methyl]benzamide Formula: C30H24FN3O2S2 MolecularWeight: 541.658863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C30H24FN3O2S2/c31-24-8-4-5-9-25(24)33-29(36)22-13-10-21(11-14-22)19-37-30-34-26-16-15-23(18-27(26)38-30)32-28(35)17-12-20-6-2-1-3-7-20/h1-11,13-16,18H,12,17,19H2,(H,32,35)(H,33,36)