N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[[[2-(4-cyanophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N5O6S2/c24-15-18-1-6-19(7-2-18)34-16-22(30)26-27-23(35)25-21(29)10-5-17-3-8-20(9-4-17)36(31,32)28-11-13-33-14-12-28/h1-4,6-9H,5,10-14,16H2,(H,26,30)(H2,25,27,29,35)