6-[(2-fluorophenyl)methyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: 6-[(2-fluorophenyl)methyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: 6-[(2-fluorophenyl)methyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxo-thiomorpholine-3-carboxamide CAS Name: 6-[(2-fluorophenyl)methyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: 6-[(2-fluorophenyl)methyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxothiomorpholine-3-carboxamide Traditional Name: 6-(2-fluorobenzyl)-5-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]thiomorpholine-3-carboxamide Formula: C20H18FN3O2S3 MolecularWeight: 447.569223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H18FN3O2S3/c1-27-20-24-14-7-6-12(9-16(14)29-20)22-18(25)15-10-28-17(19(26)23-15)8-11-4-2-3-5-13(11)21/h2-7,9,15,17H,8,10H2,1H3,(H,22,25)(H,23,26)