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

Systemtic Name: (E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(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/C21H23N5O5S2/c1-24-12-14-25(15-13-24)33(30,31)19-9-5-17(6-10-19)22-21(32)23-20(27)11-4-16-2-7-18(8-3-16)26(28)29/h2-11H,12-15H2,1H3,(H2,22,23,27,32)/b11-4+