N-aminocarbonyl-2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-butan-2-yl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: N-carbamoyl-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N6O5S2 MolecularWeight: 496.60352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC(C)N1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H28N6O5S2/c1-4-13(2)26-17(23-24-20(26)32-14(3)18(27)22-19(21)28)15-6-5-7-16(12-15)33(29,30)25-8-10-31-11-9-25/h5-7,12-14H,4,8-11H2,1-3H3,(H3,21,22,27,28)