N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]thiocarbamoyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C28H27N5O6S2 MolecularWeight: 593.67388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27N5O6S2/c1-19-2-11-24(41(36,37)33-12-14-38-15-13-33)16-25(19)27(35)30-28(40)32-31-26(34)18-39-23-9-7-22(8-10-23)21-5-3-20(17-29)4-6-21/h2-11,16H,12-15,18H2,1H3,(H,31,34)(H2,30,32,35,40)