N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H14N6O6S MolecularWeight: 442.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O6S/c25-16(10-22-6-5-11-3-1-2-4-15(11)22)20-21-18(31)19-17(26)12-7-13(23(27)28)9-14(8-12)24(29)30/h1-9H,10H2,(H,20,25)(H2,19,21,26,31)