ethyl 2-[[6-[(5-acetamido-2-chloranyl-phenyl)carbamoyl]-8-methyl-5-oxidanyl-naphthalen-1-yl]-hexyl-carbamoyl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[[6-[(5-acetamido-2-chloranyl-phenyl)carbamoyl]-8-methyl-5-oxidanyl-naphthalen-1-yl]-hexyl-carbamoyl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(5-acetamido-2-chloro-phenyl)carbamoyl]-5-hydroxy-8-methyl-1-naphthyl]-hexyl-carbamoyl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[[[6-[(5-acetamido-2-chloroanilino)-oxomethyl]-5-hydroxy-8-methyl-1-naphthalenyl]-hexylamino]-oxomethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(5-acetamido-2-chlorophenyl)carbamoyl]-5-hydroxy-8-methylnaphthalen-1-yl]-hexylcarbamoyl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[[6-[(5-acetamido-2-chloro-phenyl)carbamoyl]-5-hydroxy-8-methyl-1-naphthyl]-hexyl-carbamoyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C33H36ClN5O6S MolecularWeight: 666.18684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC=CC2=C(C(=CC(=C21)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)O)C(=O)SC4=NC=C(N4)C(=O)OCC

Isomeric SMILES

CCCCCCN(C1=CC=CC2=C(C(=CC(=C21)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)O)C(=O)SC4=NC=C(N4)C(=O)OCC

InChI

InChI=1S/C33H36ClN5O6S/c1-5-7-8-9-15-39(33(44)46-32-35-18-26(38-32)31(43)45-6-2)27-12-10-11-22-28(27)19(3)16-23(29(22)41)30(42)37-25-17-21(36-20(4)40)13-14-24(25)34/h10-14,16-18,41H,5-9,15H2,1-4H3,(H,35,38)(H,36,40)(H,37,42)