N-(3-azanyl-2,2-dimethyl-propyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[3-(thiophen-2-ylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[3-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[3-(thiophene-2-carbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[3-(2-thenoylamino)benzyl]-piperonylamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H27N3O4S/c1-25(2,14-26)15-28(24(30)18-8-9-20-21(12-18)32-16-31-20)13-17-5-3-6-19(11-17)27-23(29)22-7-4-10-33-22/h3-12H,13-16,26H2,1-2H3,(H,27,29)