N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-1-oxobutyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-butanoyl]amino]methyl]phenyl]-2-furamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H27N3O3S/c1-3-26(4-2,16-23-29-20-11-5-6-13-22(20)33-23)25(31)27-17-18-9-7-10-19(15-18)28-24(30)21-12-8-14-32-21/h5-15H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,30)