N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]-piperonylamide Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H33N5O5S/c36-28(21-6-8-25-26(19-21)40-20-39-25)32-23-18-22(29(37)34-11-2-9-31-10-14-34)5-7-24(23)33-12-3-13-35(16-15-33)30(38)27-4-1-17-41-27/h1,4-8,17-19,31H,2-3,9-16,20H2,(H,32,36)