N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4S2/c1-10(23)18-16(27)19-12-5-7-13(8-6-12)20-17(28)21-15(24)11-3-2-4-14(9-11)22(25)26/h2-9H,1H3,(H2,18,19,23,27)(H2,20,21,24,28)