4-(oxan-4-ylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 4-(oxan-4-ylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 4-(tetrahydropyran-4-ylsulfamoylmethyl)benzenecarbothioamide CAS Name: 4-(4-oxanylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 4-(oxan-4-ylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 4-(tetrahydropyran-4-ylsulfamoylmethyl)thiobenzamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1COCCC1NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2O3S2/c14-13(19)11-3-1-10(2-4-11)9-20(16,17)15-12-5-7-18-8-6-12/h1-4,12,15H,5-9H2,(H2,14,19)