4-(dimethylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-(4-morpholinylmethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-20(2)14-4-3-12(9-15(14)22(24)25)16(23)19-17-18-13(11-27-17)10-21-5-7-26-8-6-21/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)