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

Systemtic Name: N-(4-ethylphenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C27H29N3O2S/c1-2-20-4-7-24(8-5-20)28-27(31)30-12-3-11-29(13-14-30)18-25-17-23-16-21(6-9-26(23)32-25)22-10-15-33-19-22/h4-10,15-17,19H,2-3,11-14,18H2,1H3,(H,28,31)