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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-nitro-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c24-18(15-1-3-16(4-2-15)23(25)26)22-19-21-17(11-27-19)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H,21,22,24)