N-(4-azanylcyclohexyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-(2-thenoylamino)benzyl]-piperonylamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4S/c27-19-7-9-21(10-8-19)29(26(31)18-6-11-22-23(14-18)33-16-32-22)15-17-3-1-4-20(13-17)28-25(30)24-5-2-12-34-24/h1-6,11-14,19,21H,7-10,15-16,27H2,(H,28,30)