N-ethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-ethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C21H25N3O2S/c1-2-22-21(25)24-8-3-7-23(9-10-24)14-19-13-18-12-16(4-5-20(18)26-19)17-6-11-27-15-17/h4-6,11-13,15H,2-3,7-10,14H2,1H3,(H,22,25)