(2R)-N-(1-adamantyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]propionamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4C6=CC=CC=C6OC)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(N4C6=CC=CC=C6OC)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O4S/c1-16(25(32)29-27-13-17-9-18(14-27)11-19(10-17)15-27)36-26-28-21-12-20(31(33)34)7-8-22(21)30(26)23-5-3-4-6-24(23)35-2/h3-8,12,16-19H,9-11,13-15H2,1-2H3,(H,29,32)/t16-,17?,18?,19?,27?/m1/s1