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

Systemtic Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[4-(1-adamantyl)-2-thiazolyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[[4-(1-adamantyl)thiazol-2-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-13-2-3-17(7-18(13)27(30)31)21(29)24-11-20(28)26-22-25-19(12-32-22)23-8-14-4-15(9-23)6-16(5-14)10-23/h2-3,7,12,14-16H,4-6,8-11H2,1H3,(H,24,29)(H,25,26,28)