N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(furan-2-ylmethylamino)-3-nitro-benzamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(furan-2-ylmethylamino)-3-nitro-benzamide Openeye Name: N-(4-tert-butylthiazol-2-yl)-4-(2-furylmethylamino)-3-nitro-benzamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-4-(2-furanylmethylamino)-3-nitrobenzamide IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(furan-2-ylmethylamino)-3-nitrobenzamide Traditional Name: N-(4-tert-butylthiazol-2-yl)-4-(2-furfurylamino)-3-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)16-11-28-18(21-16)22-17(24)12-6-7-14(15(9-12)23(25)26)20-10-13-5-4-8-27-13/h4-9,11,20H,10H2,1-3H3,(H,21,22,24)