3-(4-morpholin-4-ylsulfonylphenyl)-N-(pyrimidin-2-ylcarbamothioyl)prop-2-enamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-(pyrimidin-2-ylcarbamothioyl)prop-2-enamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-(pyrimidin-2-ylcarbamothioyl)prop-2-enamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-(pyrimidin-2-ylcarbamothioyl)prop-2-enamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-(2-pyrimidylthiocarbamoyl)acrylamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NC3=NC=CC=N3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NC3=NC=CC=N3

InChI

InChI=1S/C18H19N5O4S2/c24-16(21-18(28)22-17-19-8-1-9-20-17)7-4-14-2-5-15(6-3-14)29(25,26)23-10-12-27-13-11-23/h1-9H,10-13H2,(H2,19,20,21,22,24,28)