N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-7-methoxy-coumarilamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C22H26N2O3S/c1-26-19-8-6-7-16-13-20(27-21(16)19)22(25)23-14-18(17-9-12-28-15-17)24-10-4-2-3-5-11-24/h6-9,12-13,15,18H,2-5,10-11,14H2,1H3,(H,23,25)