(E)-3-(furan-2-yl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H22N4O4S2/c1-29(25,26)23-12-10-22(11-13-23)16-6-4-15(5-7-16)20-19(28)21-18(24)9-8-17-3-2-14-27-17/h2-9,14H,10-13H2,1H3,(H2,20,21,24,28)/b9-8+