3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxamide

Systemtic Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxamide Openeye Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-N-methylsulfonyl-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxamide CAS Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-N-methylsulfonyl-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxamide IUPAC Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide Traditional Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)-N-mesyl-indole-6-carboxamide Formula: C36H39N5O5S2 MolecularWeight: 685.85536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)NS(=O)(=O)C)C7CCCCC7

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)NS(=O)(=O)C)C7CCCCC7

InChI

InChI=1S/C36H39N5O5S2/c1-22-35(47-23(2)37-22)30-14-10-25-19-26(11-13-29(25)38-30)34-33(24-7-5-4-6-8-24)28-12-9-27(36(43)39-48(3,44)45)20-31(28)41(34)21-32(42)40-15-17-46-18-16-40/h9-14,19-20,24H,4-8,15-18,21H2,1-3H3,(H,39,43)