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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c18-13-8-7-12(10-14(13)22(25)26)16(24)20-21-17(27)19-15(23)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,24)(H2,19,21,23,27)