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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(thiophen-2-ylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(2-thenoylamino)benzyl]-piperonylamide Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O4S/c27-21-9-6-19(29-25(31)24-2-1-11-35-24)12-17(21)14-30(20-7-4-18(28)5-8-20)26(32)16-3-10-22-23(13-16)34-15-33-22/h1-3,6,9-13,18,20H,4-5,7-8,14-15,28H2,(H,29,31)