N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-N-m-anisyl-thiophene-2-carboxamide Formula: C28H32N4O4S2 MolecularWeight: 552.70808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H32N4O4S2/c1-36-22-7-2-6-20(16-22)18-31(27(34)24-8-3-14-37-24)21-17-23(26(33)30-12-5-10-29-11-13-30)32(19-21)28(35)25-9-4-15-38-25/h2-4,6-9,14-16,21,23,29H,5,10-13,17-19H2,1H3