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

Systemtic Name: (E)-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S2/c1-12(25)20-18(29)21-14-6-8-15(9-7-14)22-19(30)23-17(26)10-5-13-3-2-4-16(11-13)24(27)28/h2-11H,1H3,(H2,20,21,25,29)(H2,22,23,26,30)/b10-5+