2-(2-methoxyethylamino)-5-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 2-(2-methoxyethylamino)-5-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-5-nitro-N-[5-(phenylmethyl)-2-thiazolyl]benzamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(5-benzylthiazol-2-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-28-10-9-21-18-8-7-15(24(26)27)12-17(18)19(25)23-20-22-13-16(29-20)11-14-5-3-2-4-6-14/h2-8,12-13,21H,9-11H2,1H3,(H,22,23,25)