3-cyclohexyl-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-cyclohexyl-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 3-cyclohexyl-2-(5-nitro-1-oxo-isoindolin-2-yl)-N-thiazol-2-yl-propanamide CAS Name: 3-cyclohexyl-2-(6-nitro-3-oxo-1H-isoindol-2-yl)-N-(2-thiazolyl)propanamide IUPAC Name: 3-cyclohexyl-2-(6-nitro-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 3-cyclohexyl-2-(1-keto-5-nitro-isoindolin-2-yl)-N-thiazol-2-yl-propionamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=CS2)N3CC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2=NC=CS2)N3CC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c25-18(22-20-21-8-9-29-20)17(10-13-4-2-1-3-5-13)23-12-14-11-15(24(27)28)6-7-16(14)19(23)26/h6-9,11,13,17H,1-5,10,12H2,(H,21,22,25)