1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine

Systemtic Name: 1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine Openeye Name: 1-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-[5-(2-thienyl)-1H-pyrazol-3-yl]guanidine CAS Name: 1-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine IUPAC Name: 1-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)guanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(2-methylbenzofuran-5-yl)-3-[5-(2-thienyl)-1H-pyrazol-3-yl]guanidine Formula: C29H33N7O3S MolecularWeight: 559.68242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=NNC(=C5)C6=CC=CS6

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC5=NNC(=C5)C6=CC=CS6

InChI

InChI=1S/C29H33N7O3S/c1-19-15-20-16-21(9-10-24(20)39-19)30-29(32-26-17-23(33-34-26)25-8-6-14-40-25)31-22-7-2-3-13-36(28(22)38)18-27(37)35-11-4-5-12-35/h6,8-10,14-17,22H,2-5,7,11-13,18H2,1H3,(H3,30,31,32,33,34)