2-[[5-(azepan-1-ylmethyl)-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N'-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-propanimidamide

Systemtic Name: 2-[[5-(azepan-1-ylmethyl)-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N'-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-propanimidamide Openeye Name: 2-[[5-(azepan-1-ylmethyl)-1,3-dioxo-isoindolin-2-yl]methyl]-N'-hydroxy-3-oxo-3-(2-thienyl)propanamidine CAS Name: 2-[[5-(1-azepanylmethyl)-1,3-dioxo-2-isoindolyl]methyl]-N'-hydroxy-3-oxo-3-thiophen-2-ylpropanimidamide IUPAC Name: 2-[[5-(azepan-1-ylmethyl)-1,3-dioxoisoindol-2-yl]methyl]-N'-hydroxy-3-oxo-3-thiophen-2-ylpropanimidamide Traditional Name: 2-[[5-(azepan-1-ylmethyl)-1,3-diketo-isoindolin-2-yl]methyl]-N'-hydroxy-3-keto-3-(2-thienyl)propionamidine Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC3=C(C=C2)C(=O)N(C3=O)CC(C(=O)C4=CC=CS4)C(=NO)N

Isomeric SMILES

C1CCCN(CC1)CC2=CC3=C(C=C2)C(=O)N(C3=O)CC(C(=O)C4=CC=CS4)/C(=N/O)/N

InChI

InChI=1S/C23H26N4O4S/c24-21(25-31)18(20(28)19-6-5-11-32-19)14-27-22(29)16-8-7-15(12-17(16)23(27)30)13-26-9-3-1-2-4-10-26/h5-8,11-12,18,31H,1-4,9-10,13-14H2,(H2,24,25)