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

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c26-20(13-6-16-4-9-18(10-5-16)25(27)28)23-21(31)22-17-7-11-19(12-8-17)32(29,30)24-14-2-1-3-15-24/h4-13H,1-3,14-15H2,(H2,22,23,26,31)/b13-6+