(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-oxidanylcyclohexyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-oxidanylcyclohexyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(4-hydroxycyclohexyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-[[(4-hydroxycyclohexyl)amino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-[(4-hydroxycyclohexyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-hydroxycyclohexyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

Isomeric SMILES

C1CC(CCC1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C20H27N3O5S2/c24-17-6-4-16(5-7-17)21-20(29)22-19(25)10-3-15-1-8-18(9-2-15)30(26,27)23-11-13-28-14-12-23/h1-3,8-10,16-17,24H,4-7,11-14H2,(H2,21,22,25,29)/b10-3+