N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H26N4O5S2/c1-14-4-6-18(15(2)12-14)23-21(27)24-20(26)16(3)31-19-7-5-17(13-22-19)32(28,29)25-8-10-30-11-9-25/h4-7,12-13,16H,8-11H2,1-3H3,(H2,23,24,26,27)