N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S/c24-16(11-22-9-8-12-4-1-2-7-15(12)22)20-21-18(28)19-17(25)13-5-3-6-14(10-13)23(26)27/h1-10H,11H2,(H,20,24)(H2,19,21,25,28)