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

Systemtic Name: 4-chloranyl-N-[(cyclopropylcarbonylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(cyclopropanecarbonylamino)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[cyclopropyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(cyclopropanecarbonylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(cyclopropanecarbonylamino)thiocarbamoyl]-3-nitro-benzamide Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O4S/c13-8-4-3-7(5-9(8)17(20)21)10(18)14-12(22)16-15-11(19)6-1-2-6/h3-6H,1-2H2,(H,15,19)(H2,14,16,18,22)