2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(3-methyl-2-thienyl)methyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(3-methyl-2-thiophenyl)methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(3-methyl-2-thienyl)methyl]benzamide Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O2S2/c1-14-10-11-26-19(14)12-22-20(24)16-7-3-2-6-15(16)13-27-21-23-17-8-4-5-9-18(17)25-21/h2-11H,12-13H2,1H3,(H,22,24)