N-(3,4-dimethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3,4-dimethylphenyl)-2-[[4-methyl-6-(4-morpholinylsulfonyl)-2-quinolinyl]thio]propanamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)thio]propionamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C)C

InChI

InChI=1S/C25H29N3O4S2/c1-16-5-6-20(13-17(16)2)26-25(29)19(4)33-24-14-18(3)22-15-21(7-8-23(22)27-24)34(30,31)28-9-11-32-12-10-28/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,29)