4-chloranyl-3-nitro-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O5S/c1-2-15(25)20-12-6-3-10(4-7-12)17(27)22-23-18(30)21-16(26)11-5-8-13(19)14(9-11)24(28)29/h3-9H,2H2,1H3,(H,20,25)(H,22,27)(H2,21,23,26,30)