4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethoxy-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethoxy-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethoxy-benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-ethoxybenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethoxybenzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-ethoxy-benzamide Formula: C17H16N2O2S2 MolecularWeight: 344.45114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCONC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O2S2/c1-2-21-19-16(20)13-9-7-12(8-10-13)11-22-17-18-14-5-3-4-6-15(14)23-17/h3-10H,2,11H2,1H3,(H,19,20)