1-(1-benzothiophen-5-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(1-benzothiophen-5-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(benzothiophen-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(1-benzothiophen-5-yl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(1-benzothiophen-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(benzothiophen-5-yl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=C(C=C2)SC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=C(C=C2)SC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H26N6O2S/c23-15-24-22(25-17-6-7-19-16(13-17)8-12-31-19)26-18-5-1-2-11-28(21(18)30)14-20(29)27-9-3-4-10-27/h6-8,12-13,18H,1-5,9-11,14H2,(H2,24,25,26)