2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]benzoic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c25-18(22-20(30)21-15-7-3-2-6-14(15)19(26)27)13-8-9-16(17(12-13)24(28)29)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,26,27)(H2,21,22,25,30)