N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2COC3=CC=CC=C3O2)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2COC3=CC=CC=C3O2)C4=CSC=C4

InChI

InChI=1S/C21H26N2O3S/c24-21(20-14-25-18-7-3-4-8-19(18)26-20)22-13-17(16-9-12-27-15-16)23-10-5-1-2-6-11-23/h3-4,7-9,12,15,17,20H,1-2,5-6,10-11,13-14H2,(H,22,24)