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

Systemtic Name: N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(1-adamantylmethyl)thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(1-adamantylmethyl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(1-adamantylmethyl)thiazol-2-yl]-4-nitro-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=CSC(=N4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=CSC(=N4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c25-19(16-1-3-18(4-2-16)24(26)27)23-20-22-17(12-28-20)11-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,12-15H,5-11H2,(H,22,23,25)