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

Systemtic Name: (E)-3-(furan-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H21N3O4S2/c23-18(11-8-16-5-4-14-26-16)21-19(27)20-15-6-9-17(10-7-15)28(24,25)22-12-2-1-3-13-22/h4-11,14H,1-3,12-13H2,(H2,20,21,23,27)/b11-8+