N-(5-chloranyl-1,3-thiazol-2-yl)-3-cyclohexyl-2-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: N-(5-chloranyl-1,3-thiazol-2-yl)-3-cyclohexyl-2-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: N-(5-chlorothiazol-2-yl)-3-cyclohexyl-2-(6-nitro-1-oxo-isoindolin-2-yl)propanamide CAS Name: N-(5-chloro-2-thiazolyl)-3-cyclohexyl-2-(5-nitro-3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(5-nitro-3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: N-(5-chlorothiazol-2-yl)-3-cyclohexyl-2-(1-keto-6-nitro-isoindolin-2-yl)propionamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2=NC=C(S2)Cl)N3CC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2=NC=C(S2)Cl)N3CC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c21-17-10-22-20(30-17)23-18(26)16(8-12-4-2-1-3-5-12)24-11-13-6-7-14(25(28)29)9-15(13)19(24)27/h6-7,9-10,12,16H,1-5,8,11H2,(H,22,23,26)