N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[4-(1-adamantyl)-2-thiazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CNC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c27-19(11-23-20(28)16-2-1-3-17(7-16)26(29)30)25-21-24-18(12-31-21)22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,12-15H,4-6,8-11H2,(H,23,28)(H,24,25,27)