(E)-3-(2-methoxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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)N3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O4S2/c1-29-20-8-4-3-7-17(20)9-14-21(26)24-22(30)23-18-10-12-19(13-11-18)31(27,28)25-15-5-2-6-16-25/h3-4,7-14H,2,5-6,15-16H2,1H3,(H2,23,24,26,30)/b14-9+