2-chloranyl-N-(2-morpholin-4-ylethyl)-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

Systemtic Name: 2-chloranyl-N-(2-morpholin-4-ylethyl)-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Openeye Name: 2-chloro-N-(2-morpholinoethyl)-4-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide CAS Name: 2-chloro-N-[2-(4-morpholinyl)ethyl]-4-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]benzamide IUPAC Name: 2-chloro-N-(2-morpholin-4-ylethyl)-4-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Traditional Name: 2-chloro-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-N-(2-morpholinoethyl)-4-nitro-benzamide Formula: C18H20ClN5O5S MolecularWeight: 453.8999

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(CC(=O)NC2=NC=CS2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCN(CC(=O)NC2=NC=CS2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN5O5S/c19-15-11-13(24(27)28)1-2-14(15)17(26)23(5-4-22-6-8-29-9-7-22)12-16(25)21-18-20-3-10-30-18/h1-3,10-11H,4-9,12H2,(H,20,21,25)