4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-benzoyl-4-chloro-phenyl)thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-benzoyl-4-chlorophenyl)-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-benzoyl-4-chlorophenyl)thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-(2-benzoyl-4-chloro-phenyl)thiophene-2-carboxamide Formula: C26H18ClNO5S MolecularWeight: 491.94282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=CSC(=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H18ClNO5S/c27-18-6-8-21(20(11-18)25(29)17-4-2-1-3-5-17)28-26(30)24-10-16(14-34-24)13-31-19-7-9-22-23(12-19)33-15-32-22/h1-12,14H,13,15H2,(H,28,30)