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

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[(4-morpholinosulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23N3O5S2/c1-28-19-5-3-2-4-16(19)6-11-20(25)23-21(30)22-17-7-9-18(10-8-17)31(26,27)24-12-14-29-15-13-24/h2-11H,12-15H2,1H3,(H2,22,23,25,30)/b11-6+