N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(tetrahydrofuran-2-ylmethylsulfanyl)benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxolanylmethylthio)benzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(tetrahydrofurfurylthio)benzamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC4CCCO4

InChI

InChI=1S/C21H22N2O3S2/c1-2-25-14-9-10-17-19(12-14)28-21(22-17)23-20(24)16-7-3-4-8-18(16)27-13-15-6-5-11-26-15/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,23,24)