N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(5-methylthiazol-2-yl)amino]ethyl]-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CN(CCCN2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CN(CCCN2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-15-13-21-20(31-15)22-18(26)14-24(7-3-6-23-8-10-30-11-9-23)19(27)16-4-2-5-17(12-16)25(28)29/h2,4-5,12-13H,3,6-11,14H2,1H3,(H,21,22,26)