propyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-3-11-27-18(24)13-7-9-14(10-8-13)20-19(28)21-17(23)15-5-4-6-16(12(15)2)22(25)26/h4-10H,3,11H2,1-2H3,(H2,20,21,23,28)