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

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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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(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5S2/c1-10(24)19-17(29)20-12-4-6-13(7-5-12)21-18(30)22-16(25)11-3-8-15(28-2)14(9-11)23(26)27/h3-9H,1-2H3,(H2,19,20,24,29)(H2,21,22,25,30)