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

Systemtic Name: 1-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-3-phenyl-urea Openeye Name: 1-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-3-phenyl-urea CAS Name: 1-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-phenylurea IUPAC Name: 1-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-3-phenylurea Traditional Name: 1-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-3-phenyl-urea Formula: C29H34N6O4 MolecularWeight: 530.61806

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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)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O4/c1-20-17-21-18-23(12-13-25(21)39-20)30-28(33-29(38)31-22-9-3-2-4-10-22)32-24-11-5-6-16-35(27(24)37)19-26(36)34-14-7-8-15-34/h2-4,9-10,12-13,17-18,24H,5-8,11,14-16,19H2,1H3,(H3,30,31,32,33,38)