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

Systemtic Name: N-[4-(ethanoylcarbamothioylamino)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-3-methyl-4-nitro-benzamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-10-9-12(3-8-15(10)21(24)25)16(23)19-13-4-6-14(7-5-13)20-17(26)18-11(2)22/h3-9H,1-2H3,(H,19,23)(H2,18,20,22,26)