3-methyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]coumarilamide Formula: C26H30N4O4S MolecularWeight: 494.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3(CCNCC3)C(=O)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3(CCNCC3)C(=O)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H30N4O4S/c1-18-19-6-2-3-7-20(19)34-22(18)23(31)28-26(9-11-27-12-10-26)25(33)30-14-5-13-29(15-16-30)24(32)21-8-4-17-35-21/h2-4,6-8,17,27H,5,9-16H2,1H3,(H,28,31)