2-chloranyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-chloranyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-chloro-5-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-5-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]benzoate Formula: C20H18ClN4O5S- MolecularWeight: 461.89872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O5S/c21-15-6-5-13(11-14(15)19(27)28)22-20(31)23-18(26)12-4-7-16(17(10-12)25(29)30)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,27,28)(H2,22,23,26,31)/p-1