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

Systemtic Name: 4-chloranyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H16ClN5O5S MolecularWeight: 461.87884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O5S/c20-14-8-5-12(9-15(14)25(29)30)17(27)22-19(31)24-23-18(28)11-3-6-13(7-4-11)21-16(26)10-1-2-10/h3-10H,1-2H2,(H,21,26)(H,23,28)(H2,22,24,27,31)