(E)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(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/C22H24N4O5S2/c1-16-12-14-25(15-13-16)33(30,31)20-9-5-18(6-10-20)23-22(32)24-21(27)11-4-17-2-7-19(8-3-17)26(28)29/h2-11,16H,12-15H2,1H3,(H2,23,24,27,32)/b11-4+