(E)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4S/c1-3-18(25)21-16-5-4-6-17(13(16)2)22-20(29)23-19(26)12-9-14-7-10-15(11-8-14)24(27)28/h4-12H,3H2,1-2H3,(H,21,25)(H2,22,23,26,29)/b12-9+