4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-N-thiazol-2-yl-benzamide CAS Name: 4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]-N-(2-thiazolyl)benzamide IUPAC Name: 4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]-N-thiazol-2-yl-benzamide Formula: C21H17N5O6S MolecularWeight: 467.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC=CS2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC=CS2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H17N5O6S/c27-18(23-14-5-3-13(4-6-14)19(28)24-20-22-9-11-33-20)2-1-10-25-16-8-7-15(26(30)31)12-17(16)32-21(25)29/h3-9,11-12H,1-2,10H2,(H,23,27)(H,22,24,28)