N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-piperonylamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CSC=C4

InChI

InChI=1S/C20H24N2O3S/c23-20(15-5-6-18-19(11-15)25-14-24-18)21-12-17(16-7-10-26-13-16)22-8-3-1-2-4-9-22/h5-7,10-11,13,17H,1-4,8-9,12,14H2,(H,21,23)