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

Systemtic Name: N-[4-(ethanoylcarbamothioylamino)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-10(22)18-17(27)20-13-6-4-12(5-7-13)19-16(23)11-3-8-15(26-2)14(9-11)21(24)25/h3-9H,1-2H3,(H,19,23)(H2,18,20,22,27)