N-[(1H-indol-3-ylcarbonylamino)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(1H-indol-3-ylcarbonylamino)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(1H-indole-3-carbonylamino)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[1H-indol-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(1H-indole-3-carbonylamino)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(1H-indole-3-carbonylamino)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-28-15-7-6-10(8-14(15)23(26)27)16(24)20-18(29)22-21-17(25)12-9-19-13-5-3-2-4-11(12)13/h2-9,19H,1H3,(H,21,25)(H2,20,22,24,29)