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

Systemtic Name: N-[4-(ethanoylcarbamothioylamino)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-3-27-16-9-4-12(10-15(16)22(25)26)17(24)20-13-5-7-14(8-6-13)21-18(28)19-11(2)23/h4-10H,3H2,1-2H3,(H,20,24)(H2,19,21,23,28)