N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-2-(3-thienyl)acetamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-2-thiophen-3-ylacetamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-2-(3-thienyl)acetamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)CC5=CSC=C5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)CC5=CSC=C5

InChI

InChI=1S/C28H33N5O4S/c1-19-14-21-16-22(7-8-24(21)37-19)29-28(31-25(34)15-20-9-13-38-18-20)30-23-6-2-3-12-33(27(23)36)17-26(35)32-10-4-5-11-32/h7-9,13-14,16,18,23H,2-6,10-12,15,17H2,1H3,(H2,29,30,31,34)