4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-phenylsulfanylphenyl)thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-phenylsulfanylphenyl)thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-phenylsulfanylphenyl)thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(phenylthio)phenyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-phenylsulfanylphenyl)thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(phenylthio)phenyl]thiophene-2-carboxamide Formula: C25H19NO4S2 MolecularWeight: 461.55266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C25H19NO4S2/c27-25(26-20-8-4-5-9-23(20)32-19-6-2-1-3-7-19)24-12-17(15-31-24)14-28-18-10-11-21-22(13-18)30-16-29-21/h1-13,15H,14,16H2,(H,26,27)