2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-[(2-cyanophenyl)methylthio]ethyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-[(2-cyanobenzyl)thio]ethyl]benzamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C25H21N3O2S2/c26-15-18-7-1-2-8-19(18)16-31-14-13-27-24(29)21-10-4-3-9-20(21)17-32-25-28-22-11-5-6-12-23(22)30-25/h1-12H,13-14,16-17H2,(H,27,29)