propyl 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c1-2-13-31-21(28)15-5-8-17(9-6-15)23-22(32)24-20(27)16-7-10-18(19(14-16)26(29)30)25-11-3-4-12-25/h5-10,14H,2-4,11-13H2,1H3,(H2,23,24,27,32)