2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-(1,3-dithian-2-yl)phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-(1,3-dithian-2-yl)phenyl]benzamide Formula: C25H22N2O2S3 MolecularWeight: 478.64938

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H22N2O2S3/c28-23(26-19-9-5-8-17(15-19)24-30-13-6-14-31-24)20-10-2-1-7-18(20)16-32-25-27-21-11-3-4-12-22(21)29-25/h1-5,7-12,15,24H,6,13-14,16H2,(H,26,28)